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

Systemtic Name: (3S)-3-oxidanyl-1-phenethyl-3-[(4-pyrrolidin-1-ium-1-ylpiperidin-1-yl)methyl]piperidin-2-one Openeye Name: (3S)-3-hydroxy-1-phenethyl-3-[(4-pyrrolidin-1-ium-1-yl-1-piperidyl)methyl]piperidin-2-one CAS Name: (3S)-3-hydroxy-1-phenethyl-3-[[4-(1-pyrrolidin-1-iumyl)-1-piperidinyl]methyl]-2-piperidinone IUPAC Name: (3S)-3-hydroxy-1-phenethyl-3-[(4-pyrrolidin-1-ium-1-ylpiperidin-1-yl)methyl]piperidin-2-one Traditional Name: (3S)-3-hydroxy-1-phenethyl-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:

C1CC[NH+](C1)C2CCN(CC2)CC3(CCCN(C3=O)CCC4=CC=CC=C4)O

Isomeric SMILES

C1CC[NH+](C1)C2CCN(CC2)C[C@]3(CCCN(C3=O)CCC4=CC=CC=C4)O

InChI

InChI=1S/C23H35N3O2/c27-22-23(28,12-6-15-26(22)18-9-20-7-2-1-3-8-20)19-24-16-10-21(11-17-24)25-13-4-5-14-25/h1-3,7-8,21,28H,4-6,9-19H2/p+1/t23-/m0/s1