methyl 4-methoxy-3-[2-(4-methylpiperazine-1,4-diium-1-yl)ethanoylamino]-1H-indole-2-carboxylate

Systemtic Name: methyl 4-methoxy-3-[2-(4-methylpiperazine-1,4-diium-1-yl)ethanoylamino]-1H-indole-2-carboxylate Openeye Name: methyl 4-methoxy-3-[[2-(4-methylpiperazine-1,4-diium-1-yl)acetyl]amino]-1H-indole-2-carboxylate CAS Name: 4-methoxy-3-[[2-(4-methyl-1-piperazine-1,4-diiumyl)-1-oxoethyl]amino]-1H-indole-2-carboxylic acid methyl ester IUPAC Name: methyl 4-methoxy-3-[[2-(4-methylpiperazine-1,4-diium-1-yl)acetyl]amino]-1H-indole-2-carboxylate Traditional Name: 4-methoxy-3-[[2-(4-methylpiperazine-1,4-diium-1-yl)acetyl]amino]-1H-indole-2-carboxylic acid methyl ester Formula: C18H26N4O4+2 MolecularWeight: 362.42344

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CC[NH+](CC1)CC(=O)NC2=C(NC3=C2C(=CC=C3)OC)C(=O)OC

Isomeric SMILES

C[NH+]1CC[NH+](CC1)CC(=O)NC2=C(NC3=C2C(=CC=C3)OC)C(=O)OC

InChI

InChI=1S/C18H24N4O4/c1-21-7-9-22(10-8-21)11-14(23)20-16-15-12(5-4-6-13(15)25-2)19-17(16)18(24)26-3/h4-6,19H,7-11H2,1-3H3,(H,20,23)/p+2