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

Systemtic Name: 2-indol-1-ylethyl-[[4-[(2S)-2-oxidanyl-3-piperidin-1-ium-1-yl-propoxy]phenyl]methyl]azanium Openeye Name: [4-[(2S)-2-hydroxy-3-piperidin-1-ium-1-yl-propoxy]phenyl]methyl-(2-indol-1-ylethyl)ammonium CAS Name: [4-[(2S)-2-hydroxy-3-(1-piperidin-1-iumyl)propoxy]phenyl]methyl-[2-(1-indolyl)ethyl]ammonium IUPAC Name: [4-[(2S)-2-hydroxy-3-piperidin-1-ium-1-ylpropoxy]phenyl]methyl-(2-indol-1-ylethyl)azanium Traditional Name: [4-[(2S)-2-hydroxy-3-piperidin-1-ium-1-yl-propoxy]benzyl]-(2-indol-1-ylethyl)ammonium Formula: C25H35N3O2+2 MolecularWeight: 409.5643

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC(COC2=CC=C(C=C2)C[NH2+]CCN3C=CC4=CC=CC=C43)O

Isomeric SMILES

C1CC[NH+](CC1)C[C@@H](COC2=CC=C(C=C2)C[NH2+]CCN3C=CC4=CC=CC=C43)O

InChI

InChI=1S/C25H33N3O2/c29-23(19-27-14-4-1-5-15-27)20-30-24-10-8-21(9-11-24)18-26-13-17-28-16-12-22-6-2-3-7-25(22)28/h2-3,6-12,16,23,26,29H,1,4-5,13-15,17-20H2/p+2/t23-/m0/s1