3-cyanopropyl-(phenylmethyl)-propan-2-yl-azanium

Systemtic Name: 3-cyanopropyl-(phenylmethyl)-propan-2-yl-azanium Openeye Name: benzyl-(3-cyanopropyl)-isopropyl-ammonium CAS Name: 3-cyanopropyl-(phenylmethyl)-propan-2-ylammonium IUPAC Name: benzyl-(3-cyanopropyl)-propan-2-ylazanium Traditional Name: benzyl-(3-cyanopropyl)-isopropyl-ammonium Formula: C14H21N2+ MolecularWeight: 217.32994

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20N2/c1-13(2)16(11-7-6-10-15)12-14-8-4-3-5-9-14/h3-5,8-9,13H,6-7,11-12H2,1-2H3/p+1