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

Systemtic Name: 3-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxidanylidene-ethyl]-1H-indole-2-carboxylate Openeye Name: 3-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxo-ethyl]-1H-indole-2-carboxylate CAS Name: 3-[2-(4-methyl-1-piperazin-4-iumyl)-2-oxoethyl]-1H-indole-2-carboxylate IUPAC Name: 3-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxoethyl]-1H-indole-2-carboxylate Traditional Name: 3-[2-keto-2-(4-methylpiperazin-4-ium-1-yl)ethyl]-1H-indole-2-carboxylate Formula: C16H19N3O3 MolecularWeight: 301.34036

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19N3O3/c1-18-6-8-19(9-7-18)14(20)10-12-11-4-2-3-5-13(11)17-15(12)16(21)22/h2-5,17H,6-10H2,1H3,(H,21,22)