(3-cyanophenyl)methyl-[[4-(methylcarbamoyl)phenyl]methyl]azanium

Systemtic Name: (3-cyanophenyl)methyl-[[4-(methylcarbamoyl)phenyl]methyl]azanium Openeye Name: (3-cyanophenyl)methyl-[[4-(methylcarbamoyl)phenyl]methyl]ammonium CAS Name: (3-cyanophenyl)methyl-[[4-(methylcarbamoyl)phenyl]methyl]ammonium IUPAC Name: (3-cyanophenyl)methyl-[[4-(methylcarbamoyl)phenyl]methyl]azanium Traditional Name: (3-cyanobenzyl)-[4-(methylcarbamoyl)benzyl]ammonium Formula: C17H18N3O+ MolecularWeight: 280.34432

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1=CC=C(C=C1)C[NH2+]CC2=CC=CC(=C2)C#N

Isomeric SMILES

CNC(=O)C1=CC=C(C=C1)C[NH2+]CC2=CC=CC(=C2)C#N

InChI

InChI=1S/C17H17N3O/c1-19-17(21)16-7-5-13(6-8-16)11-20-12-15-4-2-3-14(9-15)10-18/h2-9,20H,11-12H2,1H3,(H,19,21)/p+1