3-cyanopropyl-ethyl-(phenylmethyl)azanium

Systemtic Name: 3-cyanopropyl-ethyl-(phenylmethyl)azanium Openeye Name: benzyl-(3-cyanopropyl)-ethyl-ammonium CAS Name: 3-cyanopropyl-ethyl-(phenylmethyl)ammonium IUPAC Name: benzyl-(3-cyanopropyl)-ethylazanium Traditional Name: benzyl-(3-cyanopropyl)-ethyl-ammonium Formula: C13H19N2+ MolecularWeight: 203.30336

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18N2/c1-2-15(11-7-6-10-14)12-13-8-4-3-5-9-13/h3-5,8-9H,2,6-7,11-12H2,1H3/p+1