[(3S)-1-(1H-indol-2-ylmethyl)-3-(phenylmethyl)piperidin-1-ium-3-yl]methanol

Systemtic Name: [(3S)-1-(1H-indol-2-ylmethyl)-3-(phenylmethyl)piperidin-1-ium-3-yl]methanol Openeye Name: [(3S)-3-benzyl-1-(1H-indol-2-ylmethyl)piperidin-1-ium-3-yl]methanol CAS Name: [(3S)-1-(1H-indol-2-ylmethyl)-3-(phenylmethyl)-3-piperidin-1-iumyl]methanol IUPAC Name: [(3S)-3-benzyl-1-(1H-indol-2-ylmethyl)piperidin-1-ium-3-yl]methanol Traditional Name: [(3S)-3-benzyl-1-(1H-indol-2-ylmethyl)piperidin-1-ium-3-yl]methanol Formula: C22H27N2O+ MolecularWeight: 335.46258

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=CC3=CC=CC=C3N2)(CC4=CC=CC=C4)CO

Isomeric SMILES

C1C[C@@](C[NH+](C1)CC2=CC3=CC=CC=C3N2)(CC4=CC=CC=C4)CO

InChI

InChI=1S/C22H26N2O/c25-17-22(14-18-7-2-1-3-8-18)11-6-12-24(16-22)15-20-13-19-9-4-5-10-21(19)23-20/h1-5,7-10,13,23,25H,6,11-12,14-17H2/p+1/t22-/m0/s1