3-[[bis(phenylmethyl)azaniumyl]methyl]-2,7,8-trimethyl-quinolin-4-olate

Systemtic Name: 3-[[bis(phenylmethyl)azaniumyl]methyl]-2,7,8-trimethyl-quinolin-4-olate Openeye Name: 3-[(dibenzylammonio)methyl]-2,7,8-trimethyl-quinolin-4-olate CAS Name: 3-[[bis(phenylmethyl)ammonio]methyl]-2,7,8-trimethyl-4-quinolinolate IUPAC Name: 3-[(dibenzylazaniumyl)methyl]-2,7,8-trimethylquinolin-4-olate Traditional Name: 3-[(dibenzylammonio)methyl]-2,7,8-trimethyl-quinolin-4-olate Formula: C27H28N2O MolecularWeight: 396.52402

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=C(C(=N2)C)C[NH+](CC3=CC=CC=C3)CC4=CC=CC=C4)[O-])C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=C(C(=N2)C)C[NH+](CC3=CC=CC=C3)CC4=CC=CC=C4)[O-])C

InChI

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