[1-(2-methoxyethyl)piperidin-4-yl] 1,1-dimethylindol-1-ium-3-carboxylate

Systemtic Name: [1-(2-methoxyethyl)piperidin-4-yl] 1,1-dimethylindol-1-ium-3-carboxylate Openeye Name: [1-(2-methoxyethyl)-4-piperidyl] 1,1-dimethylindol-1-ium-3-carboxylate CAS Name: 1,1-dimethyl-3-indol-1-iumcarboxylic acid [1-(2-methoxyethyl)-4-piperidinyl] ester IUPAC Name: [1-(2-methoxyethyl)piperidin-4-yl] 1,1-dimethylindol-1-ium-3-carboxylate Traditional Name: 1,1-dimethylindol-1-ium-3-carboxylic acid [1-(2-methoxyethyl)-4-piperidyl] ester Formula: C19H27N2O3+ MolecularWeight: 331.42928

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(C=C(C2=CC=CC=C21)C(=O)OC3CCN(CC3)CCOC)C

Isomeric SMILES

C[N+]1(C=C(C2=CC=CC=C21)C(=O)OC3CCN(CC3)CCOC)C

InChI

InChI=1S/C19H27N2O3/c1-21(2)14-17(16-6-4-5-7-18(16)21)19(22)24-15-8-10-20(11-9-15)12-13-23-3/h4-7,14-15H,8-13H2,1-3H3/q+1