methyl 5,6-dimethoxy-3-[2-[4-(phenylmethyl)piperazin-1-ium-1-yl]ethanoylamino]-1H-indole-2-carboxylate

Systemtic Name: methyl 5,6-dimethoxy-3-[2-[4-(phenylmethyl)piperazin-1-ium-1-yl]ethanoylamino]-1H-indole-2-carboxylate Openeye Name: methyl 3-[[2-(4-benzylpiperazin-1-ium-1-yl)acetyl]amino]-5,6-dimethoxy-1H-indole-2-carboxylate CAS Name: 5,6-dimethoxy-3-[[1-oxo-2-[4-(phenylmethyl)-1-piperazin-1-iumyl]ethyl]amino]-1H-indole-2-carboxylic acid methyl ester IUPAC Name: methyl 3-[[2-(4-benzylpiperazin-1-ium-1-yl)acetyl]amino]-5,6-dimethoxy-1H-indole-2-carboxylate Traditional Name: 3-[[2-(4-benzylpiperazin-1-ium-1-yl)acetyl]amino]-5,6-dimethoxy-1H-indole-2-carboxylic acid methyl ester Formula: C25H31N4O5+ MolecularWeight: 467.53744

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=C(N2)C(=O)OC)NC(=O)C[NH+]3CCN(CC3)CC4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=C(N2)C(=O)OC)NC(=O)C[NH+]3CCN(CC3)CC4=CC=CC=C4)OC

InChI

InChI=1S/C25H30N4O5/c1-32-20-13-18-19(14-21(20)33-2)26-24(25(31)34-3)23(18)27-22(30)16-29-11-9-28(10-12-29)15-17-7-5-4-6-8-17/h4-8,13-14,26H,9-12,15-16H2,1-3H3,(H,27,30)/p+1