3-[(4-cyanopyridin-2-yl)amino]propyl-methyl-(phenylmethyl)azanium

Systemtic Name: 3-[(4-cyanopyridin-2-yl)amino]propyl-methyl-(phenylmethyl)azanium Openeye Name: benzyl-[3-[(4-cyano-2-pyridyl)amino]propyl]-methyl-ammonium CAS Name: 3-[(4-cyano-2-pyridinyl)amino]propyl-methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[3-[(4-cyanopyridin-2-yl)amino]propyl]-methylazanium Traditional Name: benzyl-[3-[(4-cyano-2-pyridyl)amino]propyl]-methyl-ammonium Formula: C17H21N4+ MolecularWeight: 281.37544

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCCNC1=NC=CC(=C1)C#N)CC2=CC=CC=C2

Isomeric SMILES

C[NH+](CCCNC1=NC=CC(=C1)C#N)CC2=CC=CC=C2

InChI

InChI=1S/C17H20N4/c1-21(14-15-6-3-2-4-7-15)11-5-9-19-17-12-16(13-18)8-10-20-17/h2-4,6-8,10,12H,5,9,11,14H2,1H3,(H,19,20)/p+1