ethyl 4-[2-(5-methyl-1H-indol-3-yl)-2-oxidanylidene-ethyl]piperazin-4-ium-1-carboxylate

Systemtic Name: ethyl 4-[2-(5-methyl-1H-indol-3-yl)-2-oxidanylidene-ethyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[2-(5-methyl-1H-indol-3-yl)-2-oxo-ethyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[2-(5-methyl-1H-indol-3-yl)-2-oxoethyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-(5-methyl-1H-indol-3-yl)-2-oxoethyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[2-keto-2-(5-methyl-1H-indol-3-yl)ethyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C18H24N3O3+ MolecularWeight: 330.40146

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC[NH+](CC1)CC(=O)C2=CNC3=C2C=C(C=C3)C

Isomeric SMILES

CCOC(=O)N1CC[NH+](CC1)CC(=O)C2=CNC3=C2C=C(C=C3)C

InChI

InChI=1S/C18H23N3O3/c1-3-24-18(23)21-8-6-20(7-9-21)12-17(22)15-11-19-16-5-4-13(2)10-14(15)16/h4-5,10-11,19H,3,6-9,12H2,1-2H3/p+1