3-[[1-(phenylmethyl)piperidin-1-ium-2-yl]methyl]-1H-indole chloride

Systemtic Name: 3-[[1-(phenylmethyl)piperidin-1-ium-2-yl]methyl]-1H-indole chloride Openeye Name: 3-[(1-benzylpiperidin-1-ium-2-yl)methyl]-1H-indole chloride CAS Name: 3-[[1-(phenylmethyl)-2-piperidin-1-iumyl]methyl]-1H-indole chloride IUPAC Name: 3-[(1-benzylpiperidin-1-ium-2-yl)methyl]-1H-indole chloride Traditional Name: 3-[(1-benzylpiperidin-1-ium-2-yl)methyl]-1H-indole chloride Formula: C21H25ClN2 MolecularWeight: 340.8896

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C(C1)CC2=CNC3=CC=CC=C32)CC4=CC=CC=C4.[Cl-]

Isomeric SMILES

C1CC[NH+](C(C1)CC2=CNC3=CC=CC=C32)CC4=CC=CC=C4.[Cl-]

InChI

InChI=1S/C21H24N2.ClH/c1-2-8-17(9-3-1)16-23-13-7-6-10-19(23)14-18-15-22-21-12-5-4-11-20(18)21;/h1-5,8-9,11-12,15,19,22H,6-7,10,13-14,16H2;1H