N-methyl-3-[(phenylmethyl)amino]propanenitrilium

Systemtic Name: N-methyl-3-[(phenylmethyl)amino]propanenitrilium Openeye Name: 3-(benzylamino)-N-methyl-propanenitrilium CAS Name: N-methyl-3-[(phenylmethyl)amino]propanenitrilium IUPAC Name: 3-(benzylamino)-N-methylpropanenitrilium Traditional Name: 3-(benzylamino)-N-methyl-propiononitrilium Formula: C11H15N2+ MolecularWeight: 175.2502

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]#CCCNCC1=CC=CC=C1

Isomeric SMILES

C[N+]#CCCNCC1=CC=CC=C1

InChI

InChI=1S/C11H15N2/c1-12-8-5-9-13-10-11-6-3-2-4-7-11/h2-4,6-7,13H,5,9-10H2,1H3/q+1