(6-ethoxy-4-methoxycarbonyl-3-methyl-1-phenylazanyl-hexan-3-yl)-[(4-nitrophenyl)methyl]azanium chloride

Systemtic Name: (6-ethoxy-4-methoxycarbonyl-3-methyl-1-phenylazanyl-hexan-3-yl)-[(4-nitrophenyl)methyl]azanium chloride Openeye Name: [1-(2-anilinoethyl)-4-ethoxy-2-methoxycarbonyl-1-methyl-butyl]-[(4-nitrophenyl)methyl]ammonium chloride CAS Name: (1-anilino-6-ethoxy-4-methoxycarbonyl-3-methylhexan-3-yl)-[(4-nitrophenyl)methyl]ammonium chloride IUPAC Name: (1-anilino-6-ethoxy-4-methoxycarbonyl-3-methylhexan-3-yl)-[(4-nitrophenyl)methyl]azanium chloride Traditional Name: [1-(2-anilinoethyl)-2-carbomethoxy-4-ethoxy-1-methyl-butyl]-(4-nitrobenzyl)ammonium chloride Formula: C24H34ClN3O5 MolecularWeight: 479.99686

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCC(C(=O)OC)C(C)(CCNC1=CC=CC=C1)[NH2+]CC2=CC=C(C=C2)[N+](=O)[O-].[Cl-]

Isomeric SMILES

CCOCCC(C(=O)OC)C(C)(CCNC1=CC=CC=C1)[NH2+]CC2=CC=C(C=C2)[N+](=O)[O-].[Cl-]

InChI

InChI=1S/C24H33N3O5.ClH/c1-4-32-17-14-22(23(28)31-3)24(2,15-16-25-20-8-6-5-7-9-20)26-18-19-10-12-21(13-11-19)27(29)30;/h5-13,22,25-26H,4,14-18H2,1-3H3;1H