methyl 1-(2-cyanoethyl)-1-methyl-2-piperidin-4-yl-indol-1-ium-3-carboxylate

Systemtic Name: methyl 1-(2-cyanoethyl)-1-methyl-2-piperidin-4-yl-indol-1-ium-3-carboxylate Openeye Name: methyl 1-(2-cyanoethyl)-1-methyl-2-(4-piperidyl)indol-1-ium-3-carboxylate CAS Name: 1-(2-cyanoethyl)-1-methyl-2-(4-piperidinyl)-3-indol-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 1-(2-cyanoethyl)-1-methyl-2-piperidin-4-ylindol-1-ium-3-carboxylate Traditional Name: 1-(2-cyanoethyl)-1-methyl-2-(4-piperidyl)indol-1-ium-3-carboxylic acid methyl ester Formula: C19H24N3O2+ MolecularWeight: 326.41276

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(C2=CC=CC=C2C(=C1C3CCNCC3)C(=O)OC)CCC#N

Isomeric SMILES

C[N+]1(C2=CC=CC=C2C(=C1C3CCNCC3)C(=O)OC)CCC#N

InChI

InChI=1S/C19H24N3O2/c1-22(13-5-10-20)16-7-4-3-6-15(16)17(19(23)24-2)18(22)14-8-11-21-12-9-14/h3-4,6-7,14,21H,5,8-9,11-13H2,1-2H3/q+1