1-(4-oxidanyl-4-phenyl-2-piperidin-1-yl-piperazin-4-ium-1-yl)propan-1-one

Systemtic Name: 1-(4-oxidanyl-4-phenyl-2-piperidin-1-yl-piperazin-4-ium-1-yl)propan-1-one Openeye Name: 1-[4-hydroxy-4-phenyl-2-(1-piperidyl)piperazin-4-ium-1-yl]propan-1-one CAS Name: 1-[4-hydroxy-4-phenyl-2-(1-piperidinyl)-1-piperazin-4-iumyl]-1-propanone IUPAC Name: 1-(4-hydroxy-4-phenyl-2-piperidin-1-ylpiperazin-4-ium-1-yl)propan-1-one Traditional Name: 1-(4-hydroxy-4-phenyl-2-piperidino-piperazin-4-ium-1-yl)propan-1-one Formula: C18H28N3O2+ MolecularWeight: 318.43382

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1CC[N+](CC1N2CCCCC2)(C3=CC=CC=C3)O

Isomeric SMILES

CCC(=O)N1CC[N+](CC1N2CCCCC2)(C3=CC=CC=C3)O

InChI

InChI=1S/C18H28N3O2/c1-2-18(22)20-13-14-21(23,16-9-5-3-6-10-16)15-17(20)19-11-7-4-8-12-19/h3,5-6,9-10,17,23H,2,4,7-8,11-15H2,1H3/q+1