(3S)-3-oxidanyl-1-[(4-propan-2-ylphenyl)methyl]-3-(pyrrolidin-1-ium-1-ylmethyl)piperidin-2-one

Systemtic Name: (3S)-3-oxidanyl-1-[(4-propan-2-ylphenyl)methyl]-3-(pyrrolidin-1-ium-1-ylmethyl)piperidin-2-one Openeye Name: (3S)-3-hydroxy-1-[(4-isopropylphenyl)methyl]-3-(pyrrolidin-1-ium-1-ylmethyl)piperidin-2-one CAS Name: (3S)-3-hydroxy-1-[(4-propan-2-ylphenyl)methyl]-3-(1-pyrrolidin-1-iumylmethyl)-2-piperidinone IUPAC Name: (3S)-3-hydroxy-1-[(4-propan-2-ylphenyl)methyl]-3-(pyrrolidin-1-ium-1-ylmethyl)piperidin-2-one Traditional Name: (3S)-3-hydroxy-1-(4-isopropylbenzyl)-3-(pyrrolidin-1-ium-1-ylmethyl)-2-piperidone Formula: C20H31N2O2+ MolecularWeight: 331.47234

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)CN2CCCC(C2=O)(C[NH+]3CCCC3)O

Isomeric SMILES

CC(C)C1=CC=C(C=C1)CN2CCC[C@@](C2=O)(C[NH+]3CCCC3)O

InChI

InChI=1S/C20H30N2O2/c1-16(2)18-8-6-17(7-9-18)14-22-13-5-10-20(24,19(22)23)15-21-11-3-4-12-21/h6-9,16,24H,3-5,10-15H2,1-2H3/p+1/t20-/m0/s1