(3S)-1-[(3-methylphenyl)methyl]-3-oxidanyl-3-(piperidin-1-ium-1-ylmethyl)piperidin-2-one

Systemtic Name: (3S)-1-[(3-methylphenyl)methyl]-3-oxidanyl-3-(piperidin-1-ium-1-ylmethyl)piperidin-2-one Openeye Name: (3S)-3-hydroxy-1-(m-tolylmethyl)-3-(piperidin-1-ium-1-ylmethyl)piperidin-2-one CAS Name: (3S)-3-hydroxy-1-[(3-methylphenyl)methyl]-3-(1-piperidin-1-iumylmethyl)-2-piperidinone IUPAC Name: (3S)-3-hydroxy-1-[(3-methylphenyl)methyl]-3-(piperidin-1-ium-1-ylmethyl)piperidin-2-one Traditional Name: (3S)-3-hydroxy-1-(3-methylbenzyl)-3-(piperidin-1-ium-1-ylmethyl)-2-piperidone Formula: C19H29N2O2+ MolecularWeight: 317.44576

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2CCCC(C2=O)(C[NH+]3CCCCC3)O

Isomeric SMILES

CC1=CC(=CC=C1)CN2CCC[C@@](C2=O)(C[NH+]3CCCCC3)O

InChI

InChI=1S/C19H28N2O2/c1-16-7-5-8-17(13-16)14-21-12-6-9-19(23,18(21)22)15-20-10-3-2-4-11-20/h5,7-8,13,23H,2-4,6,9-12,14-15H2,1H3/p+1/t19-/m0/s1