ethyl 1-[2-(2,6-dimethyl-1H-indol-3-yl)-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-[2-(2,6-dimethyl-1H-indol-3-yl)-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[2-(2,6-dimethyl-1H-indol-3-yl)-2-oxo-ethyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[2-(2,6-dimethyl-1H-indol-3-yl)-2-oxoethyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-(2,6-dimethyl-1H-indol-3-yl)-2-oxoethyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[2-(2,6-dimethyl-1H-indol-3-yl)-2-keto-ethyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C20H27N2O3+ MolecularWeight: 343.43998

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC[NH+](CC1)CC(=O)C2=C(NC3=C2C=CC(=C3)C)C

Isomeric SMILES

CCOC(=O)C1CC[NH+](CC1)CC(=O)C2=C(NC3=C2C=CC(=C3)C)C

InChI

InChI=1S/C20H26N2O3/c1-4-25-20(24)15-7-9-22(10-8-15)12-18(23)19-14(3)21-17-11-13(2)5-6-16(17)19/h5-6,11,15,21H,4,7-10,12H2,1-3H3/p+1