1-[1-azanyl-5-[1-(2-methoxyphenoxy)propylamino]-4-methyl-4-oxidanyl-pentyl]-5-methoxycarbonyl-2,6-dimethyl-1-(3-nitrophenyl)-4H-pyridin-1-ium-3-carboxylate

Systemtic Name: 1-[1-azanyl-5-[1-(2-methoxyphenoxy)propylamino]-4-methyl-4-oxidanyl-pentyl]-5-methoxycarbonyl-2,6-dimethyl-1-(3-nitrophenyl)-4H-pyridin-1-ium-3-carboxylate Openeye Name: 1-[1-amino-4-hydroxy-5-[1-(2-methoxyphenoxy)propylamino]-4-methyl-pentyl]-5-methoxycarbonyl-2,6-dimethyl-1-(3-nitrophenyl)-4H-pyridin-1-ium-3-carboxylate CAS Name: 1-[1-amino-4-hydroxy-5-[1-(2-methoxyphenoxy)propylamino]-4-methylpentyl]-5-methoxycarbonyl-2,6-dimethyl-1-(3-nitrophenyl)-4H-pyridin-1-ium-3-carboxylate IUPAC Name: 1-[1-amino-4-hydroxy-5-[1-(2-methoxyphenoxy)propylamino]-4-methylpentyl]-5-methoxycarbonyl-2,6-dimethyl-1-(3-nitrophenyl)-4H-pyridin-1-ium-3-carboxylate Traditional Name: 1-[1-amino-4-hydroxy-5-[1-(2-methoxyphenoxy)propylamino]-4-methyl-pentyl]-5-carbomethoxy-2,6-dimethyl-1-(3-nitrophenyl)-4H-pyridin-1-ium-3-carboxylate Formula: C32H42N4O9 MolecularWeight: 626.69728

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Descriptors Computed from Structure

Canonical SMILES:

CCC(NCC(C)(CCC(N)[N+]1(C(=C(CC(=C1C)C(=O)OC)C(=O)[O-])C)C2=CC=CC(=C2)[N+](=O)[O-])O)OC3=CC=CC=C3OC

Isomeric SMILES

CCC(NCC(C)(CCC(N)[N+]1(C(=C(CC(=C1C)C(=O)OC)C(=O)[O-])C)C2=CC=CC(=C2)[N+](=O)[O-])O)OC3=CC=CC=C3OC

InChI

InChI=1S/C32H42N4O9/c1-7-29(45-27-14-9-8-13-26(27)43-5)34-19-32(4,40)16-15-28(33)36(23-12-10-11-22(17-23)35(41)42)20(2)24(30(37)38)18-25(21(36)3)31(39)44-6/h8-14,17,28-29,34,40H,7,15-16,18-19,33H2,1-6H3