2-methyl-1-(1-methylpiperidin-2-yl)-1-propyl-indol-1-ium-3-carboxylic acid

Systemtic Name: 2-methyl-1-(1-methylpiperidin-2-yl)-1-propyl-indol-1-ium-3-carboxylic acid Openeye Name: 2-methyl-1-(1-methyl-2-piperidyl)-1-propyl-indol-1-ium-3-carboxylic acid CAS Name: 2-methyl-1-(1-methyl-2-piperidinyl)-1-propyl-3-indol-1-iumcarboxylic acid IUPAC Name: 2-methyl-1-(1-methylpiperidin-2-yl)-1-propylindol-1-ium-3-carboxylic acid Traditional Name: 2-methyl-1-(1-methyl-2-piperidyl)-1-propyl-indol-1-ium-3-carboxylic acid Formula: C19H27N2O2+ MolecularWeight: 315.42988

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC[N+]1(C(=C(C2=CC=CC=C21)C(=O)O)C)C3CCCCN3C

Isomeric SMILES

CCC[N+]1(C(=C(C2=CC=CC=C21)C(=O)O)C)C3CCCCN3C

InChI

InChI=1S/C19H26N2O2/c1-4-13-21(17-11-7-8-12-20(17)3)14(2)18(19(22)23)15-9-5-6-10-16(15)21/h5-6,9-10,17H,4,7-8,11-13H2,1-3H3/p+1