[(3S)-1-[(3-methoxyphenyl)methyl]-3-oxidanyl-2-oxidanylidene-piperidin-3-yl]methyl-(1-phenylcyclopropyl)azanium

Systemtic Name: [(3S)-1-[(3-methoxyphenyl)methyl]-3-oxidanyl-2-oxidanylidene-piperidin-3-yl]methyl-(1-phenylcyclopropyl)azanium Openeye Name: [(3S)-3-hydroxy-1-[(3-methoxyphenyl)methyl]-2-oxo-3-piperidyl]methyl-(1-phenylcyclopropyl)ammonium CAS Name: [(3S)-3-hydroxy-1-[(3-methoxyphenyl)methyl]-2-oxo-3-piperidinyl]methyl-(1-phenylcyclopropyl)ammonium IUPAC Name: [(3S)-3-hydroxy-1-[(3-methoxyphenyl)methyl]-2-oxopiperidin-3-yl]methyl-(1-phenylcyclopropyl)azanium Traditional Name: [(3S)-3-hydroxy-2-keto-1-m-anisyl-3-piperidyl]methyl-(1-phenylcyclopropyl)ammonium Formula: C23H29N2O3+ MolecularWeight: 381.48796

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CN2CCCC(C2=O)(C[NH2+]C3(CC3)C4=CC=CC=C4)O

Isomeric SMILES

COC1=CC=CC(=C1)CN2CCC[C@@](C2=O)(C[NH2+]C3(CC3)C4=CC=CC=C4)O

InChI

InChI=1S/C23H28N2O3/c1-28-20-10-5-7-18(15-20)16-25-14-6-11-23(27,21(25)26)17-24-22(12-13-22)19-8-3-2-4-9-19/h2-5,7-10,15,24,27H,6,11-14,16-17H2,1H3/p+1/t23-/m0/s1