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

Systemtic Name: (3S)-1-[(3-methylphenyl)methyl]-3-oxidanyl-3-[(4-oxidanylpiperidin-1-ium-1-yl)methyl]piperidin-2-one Openeye Name: (3S)-3-hydroxy-3-[(4-hydroxypiperidin-1-ium-1-yl)methyl]-1-(m-tolylmethyl)piperidin-2-one CAS Name: (3S)-3-hydroxy-3-[(4-hydroxy-1-piperidin-1-iumyl)methyl]-1-[(3-methylphenyl)methyl]-2-piperidinone IUPAC Name: (3S)-3-hydroxy-3-[(4-hydroxypiperidin-1-ium-1-yl)methyl]-1-[(3-methylphenyl)methyl]piperidin-2-one Traditional Name: (3S)-3-hydroxy-3-[(4-hydroxypiperidin-1-ium-1-yl)methyl]-1-(3-methylbenzyl)-2-piperidone Formula: C19H29N2O3+ MolecularWeight: 333.44516

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H28N2O3/c1-15-4-2-5-16(12-15)13-21-9-3-8-19(24,18(21)23)14-20-10-6-17(22)7-11-20/h2,4-5,12,17,22,24H,3,6-11,13-14H2,1H3/p+1/t19-/m0/s1