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

Systemtic Name: 1-methyl-3-[2-oxidanylidene-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]ethyl]indole-2-carboxylate Openeye Name: 3-[2-(4-benzylpiperazin-4-ium-1-yl)-2-oxo-ethyl]-1-methyl-indole-2-carboxylate CAS Name: 1-methyl-3-[2-oxo-2-[4-(phenylmethyl)-1-piperazin-4-iumyl]ethyl]-2-indolecarboxylate IUPAC Name: 3-[2-(4-benzylpiperazin-4-ium-1-yl)-2-oxoethyl]-1-methylindole-2-carboxylate Traditional Name: 3-[2-(4-benzylpiperazin-4-ium-1-yl)-2-keto-ethyl]-1-methyl-indole-2-carboxylate Formula: C23H25N3O3 MolecularWeight: 391.4629

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C(=C1C(=O)[O-])CC(=O)N3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

CN1C2=CC=CC=C2C(=C1C(=O)[O-])CC(=O)N3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C23H25N3O3/c1-24-20-10-6-5-9-18(20)19(22(24)23(28)29)15-21(27)26-13-11-25(12-14-26)16-17-7-3-2-4-8-17/h2-10H,11-16H2,1H3,(H,28,29)