(3S)-1-[(3-methylphenyl)methyl]-3-oxidanyl-3-[(4-phenylpiperazin-1-ium-1-yl)methyl]piperidin-2-one

Systemtic Name: (3S)-1-[(3-methylphenyl)methyl]-3-oxidanyl-3-[(4-phenylpiperazin-1-ium-1-yl)methyl]piperidin-2-one Openeye Name: (3S)-3-hydroxy-1-(m-tolylmethyl)-3-[(4-phenylpiperazin-1-ium-1-yl)methyl]piperidin-2-one CAS Name: (3S)-3-hydroxy-1-[(3-methylphenyl)methyl]-3-[(4-phenyl-1-piperazin-1-iumyl)methyl]-2-piperidinone IUPAC Name: (3S)-3-hydroxy-1-[(3-methylphenyl)methyl]-3-[(4-phenylpiperazin-1-ium-1-yl)methyl]piperidin-2-one Traditional Name: (3S)-3-hydroxy-1-(3-methylbenzyl)-3-[(4-phenylpiperazin-1-ium-1-yl)methyl]-2-piperidone Formula: C24H32N3O2+ MolecularWeight: 394.52978

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2CCCC(C2=O)(C[NH+]3CCN(CC3)C4=CC=CC=C4)O

Isomeric SMILES

CC1=CC(=CC=C1)CN2CCC[C@@](C2=O)(C[NH+]3CCN(CC3)C4=CC=CC=C4)O

InChI

InChI=1S/C24H31N3O2/c1-20-7-5-8-21(17-20)18-27-12-6-11-24(29,23(27)28)19-25-13-15-26(16-14-25)22-9-3-2-4-10-22/h2-5,7-10,17,29H,6,11-16,18-19H2,1H3/p+1/t24-/m0/s1