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

Systemtic Name: 5-(2-azanylethoxycarbonyl)-1-(3,3-diphenylpropyl)-1,2,6-trimethyl-4-(3-nitrophenyl)-4H-pyridin-1-ium-3-carboxylate Openeye Name: 5-(2-aminoethoxycarbonyl)-1-(3,3-diphenylpropyl)-1,2,6-trimethyl-4-(3-nitrophenyl)-4H-pyridin-1-ium-3-carboxylate CAS Name: 5-[2-aminoethoxy(oxo)methyl]-1-(3,3-diphenylpropyl)-1,2,6-trimethyl-4-(3-nitrophenyl)-4H-pyridin-1-ium-3-carboxylate IUPAC Name: 5-(2-aminoethoxycarbonyl)-1-(3,3-diphenylpropyl)-1,2,6-trimethyl-4-(3-nitrophenyl)-4H-pyridin-1-ium-3-carboxylate Traditional Name: 5-(2-aminoethoxycarbonyl)-1-(3,3-diphenylpropyl)-1,2,6-trimethyl-4-(3-nitrophenyl)-4H-pyridin-1-ium-3-carboxylate Formula: C33H35N3O6 MolecularWeight: 569.6475

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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)OCCN)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)OCCN)C4=CC(=CC=C4)[N+](=O)[O-])C(=O)[O-]

InChI

InChI=1S/C33H35N3O6/c1-22-29(32(37)38)31(26-15-10-16-27(21-26)35(40)41)30(33(39)42-20-18-34)23(2)36(22,3)19-17-28(24-11-6-4-7-12-24)25-13-8-5-9-14-25/h4-16,21,28,31H,17-20,34H2,1-3H3