[4-[2-cyanoethyl(pyridin-3-ylmethyl)amino]-4-oxidanylidene-butyl]azanium

Systemtic Name: [4-[2-cyanoethyl(pyridin-3-ylmethyl)amino]-4-oxidanylidene-butyl]azanium Openeye Name: [4-[2-cyanoethyl(3-pyridylmethyl)amino]-4-oxo-butyl]ammonium CAS Name: [4-[2-cyanoethyl(3-pyridinylmethyl)amino]-4-oxobutyl]ammonium IUPAC Name: [4-[2-cyanoethyl(pyridin-3-ylmethyl)amino]-4-oxobutyl]azanium Traditional Name: [4-[2-cyanoethyl(3-pyridylmethyl)amino]-4-keto-butyl]ammonium Formula: C13H19N4O+ MolecularWeight: 247.31616

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)CN(CCC#N)C(=O)CCC[NH3+]

Isomeric SMILES

C1=CC(=CN=C1)CN(CCC#N)C(=O)CCC[NH3+]

InChI

InChI=1S/C13H18N4O/c14-6-1-5-13(18)17(9-3-7-15)11-12-4-2-8-16-10-12/h2,4,8,10H,1,3,5-6,9,11,14H2/p+1