3-[2-(4-ethylpiperazin-4-ium-1-yl)-2-oxidanylidene-ethyl]-1H-indole-2-carboxylate

Systemtic Name: 3-[2-(4-ethylpiperazin-4-ium-1-yl)-2-oxidanylidene-ethyl]-1H-indole-2-carboxylate Openeye Name: 3-[2-(4-ethylpiperazin-4-ium-1-yl)-2-oxo-ethyl]-1H-indole-2-carboxylate CAS Name: 3-[2-(4-ethyl-1-piperazin-4-iumyl)-2-oxoethyl]-1H-indole-2-carboxylate IUPAC Name: 3-[2-(4-ethylpiperazin-4-ium-1-yl)-2-oxoethyl]-1H-indole-2-carboxylate Traditional Name: 3-[2-(4-ethylpiperazin-4-ium-1-yl)-2-keto-ethyl]-1H-indole-2-carboxylate Formula: C17H21N3O3 MolecularWeight: 315.36694

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C(=O)CC2=C(NC3=CC=CC=C32)C(=O)[O-]

Isomeric SMILES

CC[NH+]1CCN(CC1)C(=O)CC2=C(NC3=CC=CC=C32)C(=O)[O-]

InChI

InChI=1S/C17H21N3O3/c1-2-19-7-9-20(10-8-19)15(21)11-13-12-5-3-4-6-14(12)18-16(13)17(22)23/h3-6,18H,2,7-11H2,1H3,(H,22,23)