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

Systemtic Name: (6-butoxy-2-methyl-4-oxidanylidene-1H-quinolin-3-yl)methyl-bis(phenylmethyl)azanium Openeye Name: dibenzyl-[(6-butoxy-2-methyl-4-oxo-1H-quinolin-3-yl)methyl]ammonium CAS Name: (6-butoxy-2-methyl-4-oxo-1H-quinolin-3-yl)methyl-bis(phenylmethyl)ammonium IUPAC Name: dibenzyl-[(6-butoxy-2-methyl-4-oxo-1H-quinolin-3-yl)methyl]azanium Traditional Name: dibenzyl-[(6-butoxy-4-keto-2-methyl-1H-quinolin-3-yl)methyl]ammonium Formula: C29H33N2O2+ MolecularWeight: 441.58452

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC2=C(C=C1)NC(=C(C2=O)C[NH+](CC3=CC=CC=C3)CC4=CC=CC=C4)C

Isomeric SMILES

CCCCOC1=CC2=C(C=C1)NC(=C(C2=O)C[NH+](CC3=CC=CC=C3)CC4=CC=CC=C4)C

InChI

InChI=1S/C29H32N2O2/c1-3-4-17-33-25-15-16-28-26(18-25)29(32)27(22(2)30-28)21-31(19-23-11-7-5-8-12-23)20-24-13-9-6-10-14-24/h5-16,18H,3-4,17,19-21H2,1-2H3,(H,30,32)/p+1