2-[[5-methoxycarbonyl-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridin-3-yl]carbonyloxy]ethyl-dimethyl-(phenylmethyl)azanium

Systemtic Name: 2-[[5-methoxycarbonyl-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridin-3-yl]carbonyloxy]ethyl-dimethyl-(phenylmethyl)azanium Openeye Name: benzyl-[2-[5-methoxycarbonyl-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carbonyl]oxyethyl]-dimethyl-ammonium CAS Name: 2-[[5-methoxycarbonyl-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridin-3-yl]-oxomethoxy]ethyl-dimethyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[2-[5-methoxycarbonyl-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carbonyl]oxyethyl]-dimethylazanium Traditional Name: benzyl-[2-[5-carbomethoxy-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carbonyl]oxyethyl]-dimethyl-ammonium Formula: C27H32N3O6+ MolecularWeight: 494.55948

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)C)C(=O)OCC[N+](C)(C)CC2=CC=CC=C2)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CC1=C(C(C(=C(N1)C)C(=O)OCC[N+](C)(C)CC2=CC=CC=C2)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C27H31N3O6/c1-18-23(26(31)35-5)25(21-12-9-13-22(16-21)29(33)34)24(19(2)28-18)27(32)36-15-14-30(3,4)17-20-10-7-6-8-11-20/h6-13,16,25H,14-15,17H2,1-5H3/p+1