[2-[2-cyanoethyl(pyridin-3-ylmethyl)amino]-2-oxidanylidene-ethyl]-methyl-azanium

Systemtic Name: [2-[2-cyanoethyl(pyridin-3-ylmethyl)amino]-2-oxidanylidene-ethyl]-methyl-azanium Openeye Name: [2-[2-cyanoethyl(3-pyridylmethyl)amino]-2-oxo-ethyl]-methyl-ammonium CAS Name: [2-[2-cyanoethyl(3-pyridinylmethyl)amino]-2-oxoethyl]-methylammonium IUPAC Name: [2-[2-cyanoethyl(pyridin-3-ylmethyl)amino]-2-oxoethyl]-methylazanium Traditional Name: [2-[2-cyanoethyl(3-pyridylmethyl)amino]-2-keto-ethyl]-methyl-ammonium Formula: C12H17N4O+ MolecularWeight: 233.28958

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Descriptors Computed from Structure

Canonical SMILES:

C[NH2+]CC(=O)N(CCC#N)CC1=CN=CC=C1

Isomeric SMILES

C[NH2+]CC(=O)N(CCC#N)CC1=CN=CC=C1

InChI

InChI=1S/C12H16N4O/c1-14-9-12(17)16(7-3-5-13)10-11-4-2-6-15-8-11/h2,4,6,8,14H,3,7,9-10H2,1H3/p+1