1-(2-piperidin-1-ium-1-ylethyl)indole-2-carboxylate

Systemtic Name: 1-(2-piperidin-1-ium-1-ylethyl)indole-2-carboxylate Openeye Name: 1-(2-piperidin-1-ium-1-ylethyl)indole-2-carboxylate CAS Name: 1-[2-(1-piperidin-1-iumyl)ethyl]-2-indolecarboxylate IUPAC Name: 1-(2-piperidin-1-ium-1-ylethyl)indole-2-carboxylate Traditional Name: 1-(2-piperidin-1-ium-1-ylethyl)indole-2-carboxylate Formula: C16H20N2O2 MolecularWeight: 272.3422

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCN2C3=CC=CC=C3C=C2C(=O)[O-]

Isomeric SMILES

C1CC[NH+](CC1)CCN2C3=CC=CC=C3C=C2C(=O)[O-]

InChI

InChI=1S/C16H20N2O2/c19-16(20)15-12-13-6-2-3-7-14(13)18(15)11-10-17-8-4-1-5-9-17/h2-3,6-7,12H,1,4-5,8-11H2,(H,19,20)