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

Systemtic Name: 3-[2-oxidanylidene-2-(4-propylpiperazin-4-ium-1-yl)ethyl]-1H-indole-2-carboxylate Openeye Name: 3-[2-oxo-2-(4-propylpiperazin-4-ium-1-yl)ethyl]-1H-indole-2-carboxylate CAS Name: 3-[2-oxo-2-(4-propyl-1-piperazin-4-iumyl)ethyl]-1H-indole-2-carboxylate IUPAC Name: 3-[2-oxo-2-(4-propylpiperazin-4-ium-1-yl)ethyl]-1H-indole-2-carboxylate Traditional Name: 3-[2-keto-2-(4-propylpiperazin-4-ium-1-yl)ethyl]-1H-indole-2-carboxylate Formula: C18H23N3O3 MolecularWeight: 329.39352

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23N3O3/c1-2-7-20-8-10-21(11-9-20)16(22)12-14-13-5-3-4-6-15(13)19-17(14)18(23)24/h3-6,19H,2,7-12H2,1H3,(H,23,24)