ethyl 1-[2-(5-methoxy-1,2-dimethyl-indol-3-yl)-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-[2-(5-methoxy-1,2-dimethyl-indol-3-yl)-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[2-(5-methoxy-1,2-dimethyl-indol-3-yl)-2-oxo-ethyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[2-(5-methoxy-1,2-dimethyl-3-indolyl)-2-oxoethyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-(5-methoxy-1,2-dimethylindol-3-yl)-2-oxoethyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[2-keto-2-(5-methoxy-1,2-dimethyl-indol-3-yl)ethyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C21H29N2O4+ MolecularWeight: 373.46596

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N2O4/c1-5-27-21(25)15-8-10-23(11-9-15)13-19(24)20-14(2)22(3)18-7-6-16(26-4)12-17(18)20/h6-7,12,15H,5,8-11,13H2,1-4H3/p+1