5-(3-azanylpropoxycarbonyl)-1-(3,3-diphenylpropyl)-1,2,6-trimethyl-4-(3-nitrophenyl)-4H-pyridin-1-ium-3-carboxylate

Systemtic Name: 5-(3-azanylpropoxycarbonyl)-1-(3,3-diphenylpropyl)-1,2,6-trimethyl-4-(3-nitrophenyl)-4H-pyridin-1-ium-3-carboxylate Openeye Name: 5-(3-aminopropoxycarbonyl)-1-(3,3-diphenylpropyl)-1,2,6-trimethyl-4-(3-nitrophenyl)-4H-pyridin-1-ium-3-carboxylate CAS Name: 5-[3-aminopropoxy(oxo)methyl]-1-(3,3-diphenylpropyl)-1,2,6-trimethyl-4-(3-nitrophenyl)-4H-pyridin-1-ium-3-carboxylate IUPAC Name: 5-(3-aminopropoxycarbonyl)-1-(3,3-diphenylpropyl)-1,2,6-trimethyl-4-(3-nitrophenyl)-4H-pyridin-1-ium-3-carboxylate Traditional Name: 5-(3-aminopropoxycarbonyl)-1-(3,3-diphenylpropyl)-1,2,6-trimethyl-4-(3-nitrophenyl)-4H-pyridin-1-ium-3-carboxylate Formula: C34H37N3O6 MolecularWeight: 583.67408

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C([N+]1(C)CCC(C2=CC=CC=C2)C3=CC=CC=C3)C)C(=O)OCCCN)C4=CC(=CC=C4)[N+](=O)[O-])C(=O)[O-]

Isomeric SMILES

CC1=C(C(C(=C([N+]1(C)CCC(C2=CC=CC=C2)C3=CC=CC=C3)C)C(=O)OCCCN)C4=CC(=CC=C4)[N+](=O)[O-])C(=O)[O-]

InChI

InChI=1S/C34H37N3O6/c1-23-30(33(38)39)32(27-16-10-17-28(22-27)36(41)42)31(34(40)43-21-11-19-35)24(2)37(23,3)20-18-29(25-12-6-4-7-13-25)26-14-8-5-9-15-26/h4-10,12-17,22,29,32H,11,18-21,35H2,1-3H3