[2-(cyanomethylamino)-2-oxidanylidene-ethyl]-[1-(phenylmethyl)piperidin-1-ium-4-yl]azanium

Systemtic Name: [2-(cyanomethylamino)-2-oxidanylidene-ethyl]-[1-(phenylmethyl)piperidin-1-ium-4-yl]azanium Openeye Name: (1-benzylpiperidin-1-ium-4-yl)-[2-(cyanomethylamino)-2-oxo-ethyl]ammonium CAS Name: [2-(cyanomethylamino)-2-oxoethyl]-[1-(phenylmethyl)-4-piperidin-1-iumyl]ammonium IUPAC Name: (1-benzylpiperidin-1-ium-4-yl)-[2-(cyanomethylamino)-2-oxoethyl]azanium Traditional Name: (1-benzylpiperidin-1-ium-4-yl)-[2-(cyanomethylamino)-2-keto-ethyl]ammonium Formula: C16H24N4O+2 MolecularWeight: 288.38796

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1[NH2+]CC(=O)NCC#N)CC2=CC=CC=C2

Isomeric SMILES

C1C[NH+](CCC1[NH2+]CC(=O)NCC#N)CC2=CC=CC=C2

InChI

InChI=1S/C16H22N4O/c17-8-9-18-16(21)12-19-15-6-10-20(11-7-15)13-14-4-2-1-3-5-14/h1-5,15,19H,6-7,9-13H2,(H,18,21)/p+2