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

Systemtic Name: ethyl 4-[2-(2,6-dimethyl-1H-indol-3-yl)-2-oxidanylidene-ethyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[2-(2,6-dimethyl-1H-indol-3-yl)-2-oxo-ethyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[2-(2,6-dimethyl-1H-indol-3-yl)-2-oxoethyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-(2,6-dimethyl-1H-indol-3-yl)-2-oxoethyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[2-(2,6-dimethyl-1H-indol-3-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)C2=C(NC3=C2C=CC(=C3)C)C

Isomeric SMILES

CCOC(=O)N1CC[NH+](CC1)CC(=O)C2=C(NC3=C2C=CC(=C3)C)C

InChI

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