1-methyl-1-(piperidin-4-ylmethyl)indol-1-ium-2-carboxylic acid

Systemtic Name: 1-methyl-1-(piperidin-4-ylmethyl)indol-1-ium-2-carboxylic acid Openeye Name: 1-methyl-1-(4-piperidylmethyl)indol-1-ium-2-carboxylic acid CAS Name: 1-methyl-1-(4-piperidinylmethyl)-2-indol-1-iumcarboxylic acid IUPAC Name: 1-methyl-1-(piperidin-4-ylmethyl)indol-1-ium-2-carboxylic acid Traditional Name: 1-methyl-1-(4-piperidylmethyl)indol-1-ium-2-carboxylic acid Formula: C16H21N2O2+ MolecularWeight: 273.35014

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(C2=CC=CC=C2C=C1C(=O)O)CC3CCNCC3

Isomeric SMILES

C[N+]1(C2=CC=CC=C2C=C1C(=O)O)CC3CCNCC3

InChI

InChI=1S/C16H20N2O2/c1-18(11-12-6-8-17-9-7-12)14-5-3-2-4-13(14)10-15(18)16(19)20/h2-5,10,12,17H,6-9,11H2,1H3/p+1