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

Systemtic Name: (3S)-3-oxidanyl-1-phenethyl-3-[(4-phenylpiperazin-1-ium-1-yl)methyl]piperidin-2-one Openeye Name: (3S)-3-hydroxy-1-phenethyl-3-[(4-phenylpiperazin-1-ium-1-yl)methyl]piperidin-2-one CAS Name: (3S)-3-hydroxy-1-phenethyl-3-[(4-phenyl-1-piperazin-1-iumyl)methyl]-2-piperidinone IUPAC Name: (3S)-3-hydroxy-1-phenethyl-3-[(4-phenylpiperazin-1-ium-1-yl)methyl]piperidin-2-one Traditional Name: (3S)-3-hydroxy-1-phenethyl-3-[(4-phenylpiperazin-1-ium-1-yl)methyl]-2-piperidone Formula: C24H32N3O2+ MolecularWeight: 394.52978

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(=O)N(C1)CCC2=CC=CC=C2)(C[NH+]3CCN(CC3)C4=CC=CC=C4)O

Isomeric SMILES

C1C[C@@](C(=O)N(C1)CCC2=CC=CC=C2)(C[NH+]3CCN(CC3)C4=CC=CC=C4)O

InChI

InChI=1S/C24H31N3O2/c28-23-24(29,13-7-14-27(23)15-12-21-8-3-1-4-9-21)20-25-16-18-26(19-17-25)22-10-5-2-6-11-22/h1-6,8-11,29H,7,12-20H2/p+1/t24-/m0/s1