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

Systemtic Name: 3-[2-(4-ethylpiperazin-4-ium-1-yl)-2-oxidanylidene-ethyl]-1-methyl-indole-2-carboxylate Openeye Name: 3-[2-(4-ethylpiperazin-4-ium-1-yl)-2-oxo-ethyl]-1-methyl-indole-2-carboxylate CAS Name: 3-[2-(4-ethyl-1-piperazin-4-iumyl)-2-oxoethyl]-1-methyl-2-indolecarboxylate IUPAC Name: 3-[2-(4-ethylpiperazin-4-ium-1-yl)-2-oxoethyl]-1-methylindole-2-carboxylate Traditional Name: 3-[2-(4-ethylpiperazin-4-ium-1-yl)-2-keto-ethyl]-1-methyl-indole-2-carboxylate Formula: C18H23N3O3 MolecularWeight: 329.39352

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C(=O)CC2=C(N(C3=CC=CC=C32)C)C(=O)[O-]

Isomeric SMILES

CC[NH+]1CCN(CC1)C(=O)CC2=C(N(C3=CC=CC=C32)C)C(=O)[O-]

InChI

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