3-(2-phenylazanylethanoylamino)-N-(phenylmethyl)propanenitrilium

Systemtic Name: 3-(2-phenylazanylethanoylamino)-N-(phenylmethyl)propanenitrilium Openeye Name: 3-[(2-anilinoacetyl)amino]-N-benzyl-propanenitrilium CAS Name: 3-[(2-anilino-1-oxoethyl)amino]-N-(phenylmethyl)propanenitrilium IUPAC Name: 3-[(2-anilinoacetyl)amino]-N-benzylpropanenitrilium Traditional Name: 3-[(2-anilinoacetyl)amino]-N-benzyl-propiononitrilium Formula: C18H20N3O+ MolecularWeight: 294.3709

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C[N+]#CCCNC(=O)CNC2=CC=CC=C2

Isomeric SMILES

C1=CC=C(C=C1)C[N+]#CCCNC(=O)CNC2=CC=CC=C2

InChI

InChI=1S/C18H19N3O/c22-18(15-21-17-10-5-2-6-11-17)20-13-7-12-19-14-16-8-3-1-4-9-16/h1-6,8-11,21H,7,13-15H2/p+1