(2,2-dimethyl-3-oxidanylidene-3-piperazin-1-yl-propyl)-methyl-(2-pyridin-4-ylethyl)azanium

Systemtic Name: (2,2-dimethyl-3-oxidanylidene-3-piperazin-1-yl-propyl)-methyl-(2-pyridin-4-ylethyl)azanium Openeye Name: (2,2-dimethyl-3-oxo-3-piperazin-1-yl-propyl)-methyl-[2-(4-pyridyl)ethyl]ammonium CAS Name: [2,2-dimethyl-3-oxo-3-(1-piperazinyl)propyl]-methyl-(2-pyridin-4-ylethyl)ammonium IUPAC Name: (2,2-dimethyl-3-oxo-3-piperazin-1-ylpropyl)-methyl-(2-pyridin-4-ylethyl)azanium Traditional Name: (3-keto-2,2-dimethyl-3-piperazino-propyl)-methyl-[2-(4-pyridyl)ethyl]ammonium Formula: C17H29N4O+ MolecularWeight: 305.43836

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C[NH+](C)CCC1=CC=NC=C1)C(=O)N2CCNCC2

Isomeric SMILES

CC(C)(C[NH+](C)CCC1=CC=NC=C1)C(=O)N2CCNCC2

InChI

InChI=1S/C17H28N4O/c1-17(2,16(22)21-12-9-19-10-13-21)14-20(3)11-6-15-4-7-18-8-5-15/h4-5,7-8,19H,6,9-14H2,1-3H3/p+1