methyl-(2-methyl-1-oxidanylidene-1-piperazin-1-yl-propan-2-yl)-(2-pyridin-4-ylethyl)azanium

Systemtic Name: methyl-(2-methyl-1-oxidanylidene-1-piperazin-1-yl-propan-2-yl)-(2-pyridin-4-ylethyl)azanium Openeye Name: (1,1-dimethyl-2-oxo-2-piperazin-1-yl-ethyl)-methyl-[2-(4-pyridyl)ethyl]ammonium CAS Name: methyl-[2-methyl-1-oxo-1-(1-piperazinyl)propan-2-yl]-(2-pyridin-4-ylethyl)ammonium IUPAC Name: methyl-(2-methyl-1-oxo-1-piperazin-1-ylpropan-2-yl)-(2-pyridin-4-ylethyl)azanium Traditional Name: (2-keto-1,1-dimethyl-2-piperazino-ethyl)-methyl-[2-(4-pyridyl)ethyl]ammonium Formula: C16H27N4O+ MolecularWeight: 291.41178

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)N1CCNCC1)[NH+](C)CCC2=CC=NC=C2

Isomeric SMILES

CC(C)(C(=O)N1CCNCC1)[NH+](C)CCC2=CC=NC=C2

InChI

InChI=1S/C16H26N4O/c1-16(2,15(21)20-12-9-18-10-13-20)19(3)11-6-14-4-7-17-8-5-14/h4-5,7-8,18H,6,9-13H2,1-3H3/p+1