[7-[2-cyanoethyl(pyridin-3-ylmethyl)amino]-7-oxidanylidene-heptyl]azanium

Systemtic Name: [7-[2-cyanoethyl(pyridin-3-ylmethyl)amino]-7-oxidanylidene-heptyl]azanium Openeye Name: [7-[2-cyanoethyl(3-pyridylmethyl)amino]-7-oxo-heptyl]ammonium CAS Name: [7-[2-cyanoethyl(3-pyridinylmethyl)amino]-7-oxoheptyl]ammonium IUPAC Name: [7-[2-cyanoethyl(pyridin-3-ylmethyl)amino]-7-oxoheptyl]azanium Traditional Name: [7-[2-cyanoethyl(3-pyridylmethyl)amino]-7-keto-heptyl]ammonium Formula: C16H25N4O+ MolecularWeight: 289.3959

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H24N4O/c17-9-4-2-1-3-8-16(21)20(12-6-10-18)14-15-7-5-11-19-13-15/h5,7,11,13H,1-4,6,8-9,12,14,17H2/p+1