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

Systemtic Name: 3-[(3-cyanopyridin-2-yl)amino]propyl-methyl-(phenylmethyl)azanium Openeye Name: benzyl-[3-[(3-cyano-2-pyridyl)amino]propyl]-methyl-ammonium CAS Name: 3-[(3-cyano-2-pyridinyl)amino]propyl-methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[3-[(3-cyanopyridin-2-yl)amino]propyl]-methylazanium Traditional Name: benzyl-[3-[(3-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=C(C=CC=N1)C#N)CC2=CC=CC=C2

Isomeric SMILES

C[NH+](CCCNC1=C(C=CC=N1)C#N)CC2=CC=CC=C2

InChI

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