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

Systemtic Name: [2-(2-cyanoethylamino)-2-oxidanylidene-ethyl]-[1-(phenylmethyl)piperidin-1-ium-4-yl]azanium Openeye Name: (1-benzylpiperidin-1-ium-4-yl)-[2-(2-cyanoethylamino)-2-oxo-ethyl]ammonium CAS Name: [2-(2-cyanoethylamino)-2-oxoethyl]-[1-(phenylmethyl)-4-piperidin-1-iumyl]ammonium IUPAC Name: (1-benzylpiperidin-1-ium-4-yl)-[2-(2-cyanoethylamino)-2-oxoethyl]azanium Traditional Name: (1-benzylpiperidin-1-ium-4-yl)-[2-(2-cyanoethylamino)-2-keto-ethyl]ammonium Formula: C17H26N4O+2 MolecularWeight: 302.41454

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H24N4O/c18-9-4-10-19-17(22)13-20-16-7-11-21(12-8-16)14-15-5-2-1-3-6-15/h1-3,5-6,16,20H,4,7-8,10-14H2,(H,19,22)/p+2