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

Systemtic Name: (3S)-1-[(3-methylphenyl)methyl]-3-oxidanyl-3-[(4-pyrrolidin-1-ium-1-ylpiperidin-1-yl)methyl]piperidin-2-one Openeye Name: (3S)-3-hydroxy-1-(m-tolylmethyl)-3-[(4-pyrrolidin-1-ium-1-yl-1-piperidyl)methyl]piperidin-2-one CAS Name: (3S)-3-hydroxy-1-[(3-methylphenyl)methyl]-3-[[4-(1-pyrrolidin-1-iumyl)-1-piperidinyl]methyl]-2-piperidinone IUPAC Name: (3S)-3-hydroxy-1-[(3-methylphenyl)methyl]-3-[(4-pyrrolidin-1-ium-1-ylpiperidin-1-yl)methyl]piperidin-2-one Traditional Name: (3S)-3-hydroxy-1-(3-methylbenzyl)-3-[(4-pyrrolidin-1-ium-1-ylpiperidino)methyl]-2-piperidone Formula: C23H36N3O2+ MolecularWeight: 386.55084

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2CCCC(C2=O)(CN3CCC(CC3)[NH+]4CCCC4)O

Isomeric SMILES

CC1=CC(=CC=C1)CN2CCC[C@@](C2=O)(CN3CCC(CC3)[NH+]4CCCC4)O

InChI

InChI=1S/C23H35N3O2/c1-19-6-4-7-20(16-19)17-26-13-5-10-23(28,22(26)27)18-24-14-8-21(9-15-24)25-11-2-3-12-25/h4,6-7,16,21,28H,2-3,5,8-15,17-18H2,1H3/p+1/t23-/m0/s1