2-[1-(1H-indol-3-ylmethyl)piperidin-1-ium-4-yl]ethanoate

Systemtic Name: 2-[1-(1H-indol-3-ylmethyl)piperidin-1-ium-4-yl]ethanoate Openeye Name: 2-[1-(1H-indol-3-ylmethyl)piperidin-1-ium-4-yl]acetate CAS Name: 2-[1-(1H-indol-3-ylmethyl)-4-piperidin-1-iumyl]acetate IUPAC Name: 2-[1-(1H-indol-3-ylmethyl)piperidin-1-ium-4-yl]acetate Traditional Name: 2-[1-(1H-indol-3-ylmethyl)piperidin-1-ium-4-yl]acetate Formula: C16H20N2O2 MolecularWeight: 272.3422

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1CC(=O)[O-])CC2=CNC3=CC=CC=C32

Isomeric SMILES

C1C[NH+](CCC1CC(=O)[O-])CC2=CNC3=CC=CC=C32

InChI

InChI=1S/C16H20N2O2/c19-16(20)9-12-5-7-18(8-6-12)11-13-10-17-15-4-2-1-3-14(13)15/h1-4,10,12,17H,5-9,11H2,(H,19,20)