(3S)-3-[[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-ium-1-yl]methyl]-1-methyl-3-oxidanyl-piperidin-2-one

Systemtic Name: (3S)-3-[[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-ium-1-yl]methyl]-1-methyl-3-oxidanyl-piperidin-2-one Openeye Name: (3S)-3-[[4-(5-chloro-2-methyl-phenyl)piperazin-1-ium-1-yl]methyl]-3-hydroxy-1-methyl-piperidin-2-one CAS Name: (3S)-3-[[4-(5-chloro-2-methylphenyl)-1-piperazin-1-iumyl]methyl]-3-hydroxy-1-methyl-2-piperidinone IUPAC Name: (3S)-3-[[4-(5-chloro-2-methylphenyl)piperazin-1-ium-1-yl]methyl]-3-hydroxy-1-methylpiperidin-2-one Traditional Name: (3S)-3-[[4-(5-chloro-2-methyl-phenyl)piperazin-1-ium-1-yl]methyl]-3-hydroxy-1-methyl-2-piperidone Formula: C18H27ClN3O2+ MolecularWeight: 352.87888

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)N2CC[NH+](CC2)CC3(CCCN(C3=O)C)O

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)N2CC[NH+](CC2)C[C@]3(CCCN(C3=O)C)O

InChI

InChI=1S/C18H26ClN3O2/c1-14-4-5-15(19)12-16(14)22-10-8-21(9-11-22)13-18(24)6-3-7-20(2)17(18)23/h4-5,12,24H,3,6-11,13H2,1-2H3/p+1/t18-/m0/s1