[(3S)-1-(cyclopropylmethyl)-3-oxidanyl-2-oxidanylidene-piperidin-3-yl]methyl-(1-phenylpiperidin-4-yl)azanium

Systemtic Name: [(3S)-1-(cyclopropylmethyl)-3-oxidanyl-2-oxidanylidene-piperidin-3-yl]methyl-(1-phenylpiperidin-4-yl)azanium Openeye Name: [(3S)-1-(cyclopropylmethyl)-3-hydroxy-2-oxo-3-piperidyl]methyl-(1-phenyl-4-piperidyl)ammonium CAS Name: [(3S)-1-(cyclopropylmethyl)-3-hydroxy-2-oxo-3-piperidinyl]methyl-(1-phenyl-4-piperidinyl)ammonium IUPAC Name: [(3S)-1-(cyclopropylmethyl)-3-hydroxy-2-oxopiperidin-3-yl]methyl-(1-phenylpiperidin-4-yl)azanium Traditional Name: [(3S)-1-(cyclopropylmethyl)-3-hydroxy-2-keto-3-piperidyl]methyl-(1-phenyl-4-piperidyl)ammonium Formula: C21H32N3O2+ MolecularWeight: 358.49768

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(=O)N(C1)CC2CC2)(C[NH2+]C3CCN(CC3)C4=CC=CC=C4)O

Isomeric SMILES

C1C[C@@](C(=O)N(C1)CC2CC2)(C[NH2+]C3CCN(CC3)C4=CC=CC=C4)O

InChI

InChI=1S/C21H31N3O2/c25-20-21(26,11-4-12-24(20)15-17-7-8-17)16-22-18-9-13-23(14-10-18)19-5-2-1-3-6-19/h1-3,5-6,17-18,22,26H,4,7-16H2/p+1/t21-/m0/s1