[4-[(2S)-2-oxidanyl-3-piperidin-1-ium-1-yl-propoxy]phenyl]methyl-(3-phenylpropyl)azanium

Systemtic Name: [4-[(2S)-2-oxidanyl-3-piperidin-1-ium-1-yl-propoxy]phenyl]methyl-(3-phenylpropyl)azanium Openeye Name: [4-[(2S)-2-hydroxy-3-piperidin-1-ium-1-yl-propoxy]phenyl]methyl-(3-phenylpropyl)ammonium CAS Name: [4-[(2S)-2-hydroxy-3-(1-piperidin-1-iumyl)propoxy]phenyl]methyl-(3-phenylpropyl)ammonium IUPAC Name: [4-[(2S)-2-hydroxy-3-piperidin-1-ium-1-ylpropoxy]phenyl]methyl-(3-phenylpropyl)azanium Traditional Name: [4-[(2S)-2-hydroxy-3-piperidin-1-ium-1-yl-propoxy]benzyl]-(3-phenylpropyl)ammonium Formula: C24H36N2O2+2 MolecularWeight: 384.55484

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC(COC2=CC=C(C=C2)C[NH2+]CCCC3=CC=CC=C3)O

Isomeric SMILES

C1CC[NH+](CC1)C[C@@H](COC2=CC=C(C=C2)C[NH2+]CCCC3=CC=CC=C3)O

InChI

InChI=1S/C24H34N2O2/c27-23(19-26-16-5-2-6-17-26)20-28-24-13-11-22(12-14-24)18-25-15-7-10-21-8-3-1-4-9-21/h1,3-4,8-9,11-14,23,25,27H,2,5-7,10,15-20H2/p+2/t23-/m0/s1