3,3-dimethyl-1-oxidanylidene-4-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]piperidin-1-ium-2-one

Systemtic Name: 3,3-dimethyl-1-oxidanylidene-4-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]piperidin-1-ium-2-one Openeye Name: 3,3-dimethyl-1-oxo-4-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]piperidin-1-ium-2-one CAS Name: 3,3-dimethyl-1-oxo-4-[4-[4-(2-pyrimidinyl)-1-piperazinyl]butyl]-2-piperidin-1-iumone IUPAC Name: 3,3-dimethyl-1-oxo-4-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]piperidin-1-ium-2-one Traditional Name: 1-keto-3,3-dimethyl-4-[4-[4-(2-pyrimidyl)piperazino]butyl]piperidin-1-ium-2-one Formula: C19H30N5O2+ MolecularWeight: 360.4738

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(CC[N+](=O)C1=O)CCCCN2CCN(CC2)C3=NC=CC=N3)C

Isomeric SMILES

CC1(C(CC[N+](=O)C1=O)CCCCN2CCN(CC2)C3=NC=CC=N3)C

InChI

InChI=1S/C19H30N5O2/c1-19(2)16(7-11-24(26)17(19)25)6-3-4-10-22-12-14-23(15-13-22)18-20-8-5-9-21-18/h5,8-9,16H,3-4,6-7,10-15H2,1-2H3/q+1