[4-[(3-cyanophenyl)amino]quinazolin-2-yl]methyl-dimethyl-azanium

Systemtic Name: [4-[(3-cyanophenyl)amino]quinazolin-2-yl]methyl-dimethyl-azanium Openeye Name: [4-(3-cyanoanilino)quinazolin-2-yl]methyl-dimethyl-ammonium CAS Name: [4-(3-cyanoanilino)-2-quinazolinyl]methyl-dimethylammonium IUPAC Name: [4-(3-cyanoanilino)quinazolin-2-yl]methyl-dimethylazanium Traditional Name: [4-(3-cyanoanilino)quinazolin-2-yl]methyl-dimethyl-ammonium Formula: C18H18N5+ MolecularWeight: 304.36902

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CC1=NC2=CC=CC=C2C(=N1)NC3=CC=CC(=C3)C#N

Isomeric SMILES

C[NH+](C)CC1=NC2=CC=CC=C2C(=N1)NC3=CC=CC(=C3)C#N

InChI

InChI=1S/C18H17N5/c1-23(2)12-17-21-16-9-4-3-8-15(16)18(22-17)20-14-7-5-6-13(10-14)11-19/h3-10H,12H2,1-2H3,(H,20,21,22)/p+1