3,3-diphenylpropyl-[2-[[5-ethoxycarbonyl-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridin-3-yl]carbonyloxy]-2-methyl-propyl]-methyl-azanium chloride

Systemtic Name: 3,3-diphenylpropyl-[2-[[5-ethoxycarbonyl-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridin-3-yl]carbonyloxy]-2-methyl-propyl]-methyl-azanium chloride Openeye Name: 3,3-diphenylpropyl-[2-[5-ethoxycarbonyl-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carbonyl]oxy-2-methyl-propyl]-methyl-ammonium chloride CAS Name: 3,3-diphenylpropyl-[2-[[5-ethoxycarbonyl-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridin-3-yl]-oxomethoxy]-2-methylpropyl]-methylammonium chloride IUPAC Name: 3,3-diphenylpropyl-[2-[5-ethoxycarbonyl-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carbonyl]oxy-2-methylpropyl]-methylazanium chloride Traditional Name: [2-[5-carbethoxy-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carbonyl]oxy-2-methyl-propyl]-(3,3-diphenylpropyl)-methyl-ammonium chloride Formula: C37H44ClN3O6 MolecularWeight: 662.21476

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C(C1C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OC(C)(C)C[NH+](C)CCC(C3=CC=CC=C3)C4=CC=CC=C4)C)C.[Cl-]

Isomeric SMILES

CCOC(=O)C1=C(NC(=C(C1C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OC(C)(C)C[NH+](C)CCC(C3=CC=CC=C3)C4=CC=CC=C4)C)C.[Cl-]

InChI

InChI=1S/C37H43N3O6.ClH/c1-7-45-35(41)32-25(2)38-26(3)33(34(32)29-19-14-20-30(23-29)40(43)44)36(42)46-37(4,5)24-39(6)22-21-31(27-15-10-8-11-16-27)28-17-12-9-13-18-28;/h8-20,23,31,34,38H,7,21-22,24H2,1-6H3;1H