3-cyanopropyl-methyl-(phenylmethyl)azanium

Systemtic Name: 3-cyanopropyl-methyl-(phenylmethyl)azanium Openeye Name: benzyl-(3-cyanopropyl)-methyl-ammonium CAS Name: 3-cyanopropyl-methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-(3-cyanopropyl)-methylazanium Traditional Name: benzyl-(3-cyanopropyl)-methyl-ammonium Formula: C12H17N2+ MolecularWeight: 189.27678

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCCC#N)CC1=CC=CC=C1

Isomeric SMILES

C[NH+](CCCC#N)CC1=CC=CC=C1

InChI

InChI=1S/C12H16N2/c1-14(10-6-5-9-13)11-12-7-3-2-4-8-12/h2-4,7-8H,5-6,10-11H2,1H3/p+1