[2-[(2-methylphenyl)amino]-2-oxidanylidene-ethyl]-[(4-phenylquinazolin-2-yl)methyl]-propyl-azanium

Systemtic Name: [2-[(2-methylphenyl)amino]-2-oxidanylidene-ethyl]-[(4-phenylquinazolin-2-yl)methyl]-propyl-azanium Openeye Name: [2-(2-methylanilino)-2-oxo-ethyl]-[(4-phenylquinazolin-2-yl)methyl]-propyl-ammonium CAS Name: [2-(2-methylanilino)-2-oxoethyl]-[(4-phenyl-2-quinazolinyl)methyl]-propylammonium IUPAC Name: [2-(2-methylanilino)-2-oxoethyl]-[(4-phenylquinazolin-2-yl)methyl]-propylazanium Traditional Name: [2-keto-2-(o-toluidino)ethyl]-[(4-phenylquinazolin-2-yl)methyl]-propyl-ammonium Formula: C27H29N4O+ MolecularWeight: 425.54536

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+](CC1=NC2=CC=CC=C2C(=N1)C3=CC=CC=C3)CC(=O)NC4=CC=CC=C4C

Isomeric SMILES

CCC[NH+](CC1=NC2=CC=CC=C2C(=N1)C3=CC=CC=C3)CC(=O)NC4=CC=CC=C4C

InChI

InChI=1S/C27H28N4O/c1-3-17-31(19-26(32)29-23-15-9-7-11-20(23)2)18-25-28-24-16-10-8-14-22(24)27(30-25)21-12-5-4-6-13-21/h4-16H,3,17-19H2,1-2H3,(H,29,32)/p+1