(3S)-3-oxidanyl-1-(3-phenylpropyl)-3-[(4-pyridin-1-ium-2-ylpiperazin-1-yl)methyl]piperidin-2-one

Systemtic Name: (3S)-3-oxidanyl-1-(3-phenylpropyl)-3-[(4-pyridin-1-ium-2-ylpiperazin-1-yl)methyl]piperidin-2-one Openeye Name: (3S)-3-hydroxy-1-(3-phenylpropyl)-3-[(4-pyridin-1-ium-2-ylpiperazin-1-yl)methyl]piperidin-2-one CAS Name: (3S)-3-hydroxy-1-(3-phenylpropyl)-3-[[4-(2-pyridin-1-iumyl)-1-piperazinyl]methyl]-2-piperidinone IUPAC Name: (3S)-3-hydroxy-1-(3-phenylpropyl)-3-[(4-pyridin-1-ium-2-ylpiperazin-1-yl)methyl]piperidin-2-one Traditional Name: (3S)-3-hydroxy-1-(3-phenylpropyl)-3-[(4-pyridin-1-ium-2-ylpiperazino)methyl]-2-piperidone Formula: C24H33N4O2+ MolecularWeight: 409.54442

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(=O)N(C1)CCCC2=CC=CC=C2)(CN3CCN(CC3)C4=CC=CC=[NH+]4)O

Isomeric SMILES

C1C[C@@](C(=O)N(C1)CCCC2=CC=CC=C2)(CN3CCN(CC3)C4=CC=CC=[NH+]4)O

InChI

InChI=1S/C24H32N4O2/c29-23-24(30,12-7-15-28(23)14-6-10-21-8-2-1-3-9-21)20-26-16-18-27(19-17-26)22-11-4-5-13-25-22/h1-5,8-9,11,13,30H,6-7,10,12,14-20H2/p+1/t24-/m0/s1