2-[[5-(5,5-dimethyl-2-oxidanylidene-1,3,2$l^{5}-dioxaphosphinan-2-yl)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridin-3-yl]carbonyloxy]ethyl-phenyl-(phenylmethyl)azanium

Systemtic Name: 2-[[5-(5,5-dimethyl-2-oxidanylidene-1,3,2$l^{5}-dioxaphosphinan-2-yl)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridin-3-yl]carbonyloxy]ethyl-phenyl-(phenylmethyl)azanium Openeye Name: benzyl-[2-[5-(5,5-dimethyl-2-oxo-1,3,2$l^{5}-dioxaphosphinan-2-yl)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carbonyl]oxyethyl]-phenyl-ammonium CAS Name: 2-[[5-(5,5-dimethyl-2-oxo-1,3,2$l^{5}-dioxaphosphorinan-2-yl)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridin-3-yl]-oxomethoxy]ethyl-phenyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[2-[5-(5,5-dimethyl-2-oxo-1,3,2$l^{5}-dioxaphosphinan-2-yl)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carbonyl]oxyethyl]-phenylazanium Traditional Name: benzyl-[2-[5-(2-keto-5,5-dimethyl-1,3,2$l^{5}-dioxaphosphorinan-2-yl)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carbonyl]oxyethyl]-phenyl-ammonium Formula: C34H39N3O7P+ MolecularWeight: 632.663121

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)C)P2(=O)OCC(CO2)(C)C)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)OCC[NH+](CC4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CC1=C(C(C(=C(N1)C)P2(=O)OCC(CO2)(C)C)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)OCC[NH+](CC4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C34H38N3O7P/c1-24-30(33(38)42-19-18-36(28-15-9-6-10-16-28)21-26-12-7-5-8-13-26)31(27-14-11-17-29(20-27)37(39)40)32(25(2)35-24)45(41)43-22-34(3,4)23-44-45/h5-17,20,31,35H,18-19,21-23H2,1-4H3/p+1