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

Systemtic Name: (6-butyl-2-methyl-4-oxidanylidene-1H-quinolin-3-yl)methyl-bis(phenylmethyl)azanium Openeye Name: dibenzyl-[(6-butyl-2-methyl-4-oxo-1H-quinolin-3-yl)methyl]ammonium CAS Name: (6-butyl-2-methyl-4-oxo-1H-quinolin-3-yl)methyl-bis(phenylmethyl)ammonium IUPAC Name: dibenzyl-[(6-butyl-2-methyl-4-oxo-1H-quinolin-3-yl)methyl]azanium Traditional Name: dibenzyl-[(6-butyl-4-keto-2-methyl-1H-quinolin-3-yl)methyl]ammonium Formula: C29H33N2O+ MolecularWeight: 425.58512

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=C(C=C1)NC(=C(C2=O)C[NH+](CC3=CC=CC=C3)CC4=CC=CC=C4)C

Isomeric SMILES

CCCCC1=CC2=C(C=C1)NC(=C(C2=O)C[NH+](CC3=CC=CC=C3)CC4=CC=CC=C4)C

InChI

InChI=1S/C29H32N2O/c1-3-4-11-23-16-17-28-26(18-23)29(32)27(22(2)30-28)21-31(19-24-12-7-5-8-13-24)20-25-14-9-6-10-15-25/h5-10,12-18H,3-4,11,19-21H2,1-2H3,(H,30,32)/p+1