3,3-dimethyl-4-[[(3S)-1-[(3-methylphenyl)methyl]-3-oxidanyl-2-oxidanylidene-piperidin-3-yl]methyl]piperazin-4-ium-2-one

Systemtic Name: 3,3-dimethyl-4-[[(3S)-1-[(3-methylphenyl)methyl]-3-oxidanyl-2-oxidanylidene-piperidin-3-yl]methyl]piperazin-4-ium-2-one Openeye Name: 4-[[(3S)-3-hydroxy-1-(m-tolylmethyl)-2-oxo-3-piperidyl]methyl]-3,3-dimethyl-piperazin-4-ium-2-one CAS Name: 4-[[(3S)-3-hydroxy-1-[(3-methylphenyl)methyl]-2-oxo-3-piperidinyl]methyl]-3,3-dimethyl-2-piperazin-4-iumone IUPAC Name: 4-[[(3S)-3-hydroxy-1-[(3-methylphenyl)methyl]-2-oxopiperidin-3-yl]methyl]-3,3-dimethylpiperazin-4-ium-2-one Traditional Name: 4-[[(3S)-3-hydroxy-2-keto-1-(3-methylbenzyl)-3-piperidyl]methyl]-3,3-dimethyl-piperazin-4-ium-2-one Formula: C20H30N3O3+ MolecularWeight: 360.4705

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2CCCC(C2=O)(C[NH+]3CCNC(=O)C3(C)C)O

Isomeric SMILES

CC1=CC(=CC=C1)CN2CCC[C@@](C2=O)(C[NH+]3CCNC(=O)C3(C)C)O

InChI

InChI=1S/C20H29N3O3/c1-15-6-4-7-16(12-15)13-22-10-5-8-20(26,18(22)25)14-23-11-9-21-17(24)19(23,2)3/h4,6-7,12,26H,5,8-11,13-14H2,1-3H3,(H,21,24)/p+1/t20-/m0/s1