ethyl 4-[2-(7-ethyl-1H-indol-3-yl)-2-oxidanylidene-ethyl]piperazin-4-ium-1-carboxylate

Systemtic Name: ethyl 4-[2-(7-ethyl-1H-indol-3-yl)-2-oxidanylidene-ethyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[2-(7-ethyl-1H-indol-3-yl)-2-oxo-ethyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[2-(7-ethyl-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:

CCC1=CC=CC2=C1NC=C2C(=O)C[NH+]3CCN(CC3)C(=O)OCC

Isomeric SMILES

CCC1=CC=CC2=C1NC=C2C(=O)C[NH+]3CCN(CC3)C(=O)OCC

InChI

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