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

Systemtic Name: (3S)-1-(cyclopropylmethyl)-3-oxidanyl-3-[(4-oxidanyl-4-phenyl-piperidin-1-ium-1-yl)methyl]piperidin-2-one Openeye Name: (3S)-1-(cyclopropylmethyl)-3-hydroxy-3-[(4-hydroxy-4-phenyl-piperidin-1-ium-1-yl)methyl]piperidin-2-one CAS Name: (3S)-1-(cyclopropylmethyl)-3-hydroxy-3-[(4-hydroxy-4-phenyl-1-piperidin-1-iumyl)methyl]-2-piperidinone IUPAC Name: (3S)-1-(cyclopropylmethyl)-3-hydroxy-3-[(4-hydroxy-4-phenylpiperidin-1-ium-1-yl)methyl]piperidin-2-one Traditional Name: (3S)-1-(cyclopropylmethyl)-3-hydroxy-3-[(4-hydroxy-4-phenyl-piperidin-1-ium-1-yl)methyl]-2-piperidone Formula: C21H31N2O3+ MolecularWeight: 359.48244

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(=O)N(C1)CC2CC2)(C[NH+]3CCC(CC3)(C4=CC=CC=C4)O)O

Isomeric SMILES

C1C[C@@](C(=O)N(C1)CC2CC2)(C[NH+]3CCC(CC3)(C4=CC=CC=C4)O)O

InChI

InChI=1S/C21H30N2O3/c24-19-21(26,9-4-12-23(19)15-17-7-8-17)16-22-13-10-20(25,11-14-22)18-5-2-1-3-6-18/h1-3,5-6,17,25-26H,4,7-16H2/p+1/t21-/m0/s1