(2-methyl-4-oxidanylidene-6-propoxycarbonyl-1H-quinolin-3-yl)methyl-bis(phenylmethyl)azanium

Systemtic Name: (2-methyl-4-oxidanylidene-6-propoxycarbonyl-1H-quinolin-3-yl)methyl-bis(phenylmethyl)azanium Openeye Name: dibenzyl-[(2-methyl-4-oxo-6-propoxycarbonyl-1H-quinolin-3-yl)methyl]ammonium CAS Name: [2-methyl-4-oxo-6-[oxo(propoxy)methyl]-1H-quinolin-3-yl]methyl-bis(phenylmethyl)ammonium IUPAC Name: dibenzyl-[(2-methyl-4-oxo-6-propoxycarbonyl-1H-quinolin-3-yl)methyl]azanium Traditional Name: dibenzyl-[(4-keto-2-methyl-6-propoxycarbonyl-1H-quinolin-3-yl)methyl]ammonium Formula: C29H31N2O3+ MolecularWeight: 455.56804

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=CC2=C(C=C1)NC(=C(C2=O)C[NH+](CC3=CC=CC=C3)CC4=CC=CC=C4)C

Isomeric SMILES

CCCOC(=O)C1=CC2=C(C=C1)NC(=C(C2=O)C[NH+](CC3=CC=CC=C3)CC4=CC=CC=C4)C

InChI

InChI=1S/C29H30N2O3/c1-3-16-34-29(33)24-14-15-27-25(17-24)28(32)26(21(2)30-27)20-31(18-22-10-6-4-7-11-22)19-23-12-8-5-9-13-23/h4-15,17H,3,16,18-20H2,1-2H3,(H,30,32)/p+1