(3S)-3-oxidanyl-1-(3-phenylpropyl)-3-(piperidin-1-ium-1-ylmethyl)piperidin-2-one

Systemtic Name: (3S)-3-oxidanyl-1-(3-phenylpropyl)-3-(piperidin-1-ium-1-ylmethyl)piperidin-2-one Openeye Name: (3S)-3-hydroxy-1-(3-phenylpropyl)-3-(piperidin-1-ium-1-ylmethyl)piperidin-2-one CAS Name: (3S)-3-hydroxy-1-(3-phenylpropyl)-3-(1-piperidin-1-iumylmethyl)-2-piperidinone IUPAC Name: (3S)-3-hydroxy-1-(3-phenylpropyl)-3-(piperidin-1-ium-1-ylmethyl)piperidin-2-one Traditional Name: (3S)-3-hydroxy-1-(3-phenylpropyl)-3-(piperidin-1-ium-1-ylmethyl)-2-piperidone Formula: C20H31N2O2+ MolecularWeight: 331.47234

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC2(CCCN(C2=O)CCCC3=CC=CC=C3)O

Isomeric SMILES

C1CC[NH+](CC1)C[C@]2(CCCN(C2=O)CCCC3=CC=CC=C3)O

InChI

InChI=1S/C20H30N2O2/c23-19-20(24,17-21-13-5-2-6-14-21)12-8-16-22(19)15-7-11-18-9-3-1-4-10-18/h1,3-4,9-10,24H,2,5-8,11-17H2/p+1/t20-/m0/s1