1-[1-azanyl-3-[[3-(2-methoxyphenoxy)-2-oxidanyl-propyl]amino]-3-methyl-butyl]-5-ethoxycarbonyl-6-methyl-2-(2-methylpropanoyl)-1-(3-nitrophenyl)-4H-pyridin-1-ium-3-carboxylate hydrochloride

Systemtic Name: 1-[1-azanyl-3-[[3-(2-methoxyphenoxy)-2-oxidanyl-propyl]amino]-3-methyl-butyl]-5-ethoxycarbonyl-6-methyl-2-(2-methylpropanoyl)-1-(3-nitrophenyl)-4H-pyridin-1-ium-3-carboxylate hydrochloride Openeye Name: 1-[1-amino-3-[[2-hydroxy-3-(2-methoxyphenoxy)propyl]amino]-3-methyl-butyl]-5-ethoxycarbonyl-6-methyl-2-(2-methylpropanoyl)-1-(3-nitrophenyl)-4H-pyridin-1-ium-3-carboxylate hydrochloride CAS Name: 1-[1-amino-3-[[2-hydroxy-3-(2-methoxyphenoxy)propyl]amino]-3-methylbutyl]-5-ethoxycarbonyl-6-methyl-2-(2-methyl-1-oxopropyl)-1-(3-nitrophenyl)-4H-pyridin-1-ium-3-carboxylate hydrochloride IUPAC Name: 1-[1-amino-3-[[2-hydroxy-3-(2-methoxyphenoxy)propyl]amino]-3-methylbutyl]-5-ethoxycarbonyl-6-methyl-2-(2-methylpropanoyl)-1-(3-nitrophenyl)-4H-pyridin-1-ium-3-carboxylate hydrochloride Traditional Name: 1-[1-amino-3-[[2-hydroxy-3-(2-methoxyphenoxy)propyl]amino]-3-methyl-butyl]-5-carbethoxy-2-isobutyryl-6-methyl-1-(3-nitrophenyl)-4H-pyridin-1-ium-3-carboxylate hydrochloride Formula: C35H47ClN4O10 MolecularWeight: 719.22148

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C([N+](C(=C(C1)C(=O)[O-])C(=O)C(C)C)(C2=CC=CC(=C2)[N+](=O)[O-])C(CC(C)(C)NCC(COC3=CC=CC=C3OC)O)N)C.Cl

Isomeric SMILES

CCOC(=O)C1=C([N+](C(=C(C1)C(=O)[O-])C(=O)C(C)C)(C2=CC=CC(=C2)[N+](=O)[O-])C(CC(C)(C)NCC(COC3=CC=CC=C3OC)O)N)C.Cl

InChI

InChI=1S/C35H46N4O10.ClH/c1-8-48-34(44)26-17-27(33(42)43)31(32(41)21(2)3)39(22(26)4,24-13-11-12-23(16-24)38(45)46)30(36)18-35(5,6)37-19-25(40)20-49-29-15-10-9-14-28(29)47-7;/h9-16,21,25,30,37,40H,8,17-20,36H2,1-7H3;1H