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

Systemtic Name: 2-[[5-methoxycarbonyl-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridin-3-yl]carbonyloxy]ethyl-methyl-(phenylmethyl)-prop-2-enyl-azanium Openeye Name: allyl-benzyl-[2-[5-methoxycarbonyl-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carbonyl]oxyethyl]-methyl-ammonium CAS Name: 2-[[5-methoxycarbonyl-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridin-3-yl]-oxomethoxy]ethyl-methyl-(phenylmethyl)-prop-2-enylammonium IUPAC Name: benzyl-[2-[5-methoxycarbonyl-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carbonyl]oxyethyl]-methyl-prop-2-enylazanium Traditional Name: allyl-benzyl-[2-[5-carbomethoxy-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carbonyl]oxyethyl]-methyl-ammonium Formula: C29H34N3O6+ MolecularWeight: 520.59676

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C29H33N3O6/c1-6-15-32(4,19-22-11-8-7-9-12-22)16-17-38-29(34)26-21(3)30-20(2)25(28(33)37-5)27(26)23-13-10-14-24(18-23)31(35)36/h6-14,18,27H,1,15-17,19H2,2-5H3/p+1