[2-[(2S)-2-oxidanyl-3-piperidin-1-ium-1-yl-propoxy]phenyl]methyl-(1-phenylcyclopropyl)azanium

Systemtic Name: [2-[(2S)-2-oxidanyl-3-piperidin-1-ium-1-yl-propoxy]phenyl]methyl-(1-phenylcyclopropyl)azanium Openeye Name: [2-[(2S)-2-hydroxy-3-piperidin-1-ium-1-yl-propoxy]phenyl]methyl-(1-phenylcyclopropyl)ammonium CAS Name: [2-[(2S)-2-hydroxy-3-(1-piperidin-1-iumyl)propoxy]phenyl]methyl-(1-phenylcyclopropyl)ammonium IUPAC Name: [2-[(2S)-2-hydroxy-3-piperidin-1-ium-1-ylpropoxy]phenyl]methyl-(1-phenylcyclopropyl)azanium Traditional Name: [2-[(2S)-2-hydroxy-3-piperidin-1-ium-1-yl-propoxy]benzyl]-(1-phenylcyclopropyl)ammonium Formula: C24H34N2O2+2 MolecularWeight: 382.53896

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC(COC2=CC=CC=C2C[NH2+]C3(CC3)C4=CC=CC=C4)O

Isomeric SMILES

C1CC[NH+](CC1)C[C@@H](COC2=CC=CC=C2C[NH2+]C3(CC3)C4=CC=CC=C4)O

InChI

InChI=1S/C24H32N2O2/c27-22(18-26-15-7-2-8-16-26)19-28-23-12-6-5-9-20(23)17-25-24(13-14-24)21-10-3-1-4-11-21/h1,3-6,9-12,22,25,27H,2,7-8,13-19H2/p+2/t22-/m0/s1