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

Systemtic Name: (6-ethyl-2-methyl-4-oxidanylidene-1H-quinolin-3-yl)methyl-bis(phenylmethyl)azanium Openeye Name: dibenzyl-[(6-ethyl-2-methyl-4-oxo-1H-quinolin-3-yl)methyl]ammonium CAS Name: (6-ethyl-2-methyl-4-oxo-1H-quinolin-3-yl)methyl-bis(phenylmethyl)ammonium IUPAC Name: dibenzyl-[(6-ethyl-2-methyl-4-oxo-1H-quinolin-3-yl)methyl]azanium Traditional Name: dibenzyl-[(6-ethyl-4-keto-2-methyl-1H-quinolin-3-yl)methyl]ammonium Formula: C27H29N2O+ MolecularWeight: 397.53196

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)NC(=C(C2=O)C[NH+](CC3=CC=CC=C3)CC4=CC=CC=C4)C

Isomeric SMILES

CCC1=CC2=C(C=C1)NC(=C(C2=O)C[NH+](CC3=CC=CC=C3)CC4=CC=CC=C4)C

InChI

InChI=1S/C27H28N2O/c1-3-21-14-15-26-24(16-21)27(30)25(20(2)28-26)19-29(17-22-10-6-4-7-11-22)18-23-12-8-5-9-13-23/h4-16H,3,17-19H2,1-2H3,(H,28,30)/p+1