ethyl 4-[2-(2,3-dimethylindol-1-yl)-2-oxidanylidene-ethyl]piperazin-4-ium-1-carboxylate

Systemtic Name: ethyl 4-[2-(2,3-dimethylindol-1-yl)-2-oxidanylidene-ethyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[2-(2,3-dimethylindol-1-yl)-2-oxo-ethyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[2-(2,3-dimethyl-1-indolyl)-2-oxoethyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-(2,3-dimethylindol-1-yl)-2-oxoethyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[2-(2,3-dimethylindol-1-yl)-2-keto-ethyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C19H26N3O3+ MolecularWeight: 344.42804

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC[NH+](CC1)CC(=O)N2C(=C(C3=CC=CC=C32)C)C

Isomeric SMILES

CCOC(=O)N1CC[NH+](CC1)CC(=O)N2C(=C(C3=CC=CC=C32)C)C

InChI

InChI=1S/C19H25N3O3/c1-4-25-19(24)21-11-9-20(10-12-21)13-18(23)22-15(3)14(2)16-7-5-6-8-17(16)22/h5-8H,4,9-13H2,1-3H3/p+1