ethyl 5-ethoxy-3-[2-(4-methylpiperazine-1,4-diium-1-yl)ethanoylamino]-1H-indole-2-carboxylate

Systemtic Name: ethyl 5-ethoxy-3-[2-(4-methylpiperazine-1,4-diium-1-yl)ethanoylamino]-1H-indole-2-carboxylate Openeye Name: ethyl 5-ethoxy-3-[[2-(4-methylpiperazine-1,4-diium-1-yl)acetyl]amino]-1H-indole-2-carboxylate CAS Name: 5-ethoxy-3-[[2-(4-methyl-1-piperazine-1,4-diiumyl)-1-oxoethyl]amino]-1H-indole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 5-ethoxy-3-[[2-(4-methylpiperazine-1,4-diium-1-yl)acetyl]amino]-1H-indole-2-carboxylate Traditional Name: 5-ethoxy-3-[[2-(4-methylpiperazine-1,4-diium-1-yl)acetyl]amino]-1H-indole-2-carboxylic acid ethyl ester Formula: C20H30N4O4+2 MolecularWeight: 390.4766

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)NC(=C2NC(=O)C[NH+]3CC[NH+](CC3)C)C(=O)OCC

Isomeric SMILES

CCOC1=CC2=C(C=C1)NC(=C2NC(=O)C[NH+]3CC[NH+](CC3)C)C(=O)OCC

InChI

InChI=1S/C20H28N4O4/c1-4-27-14-6-7-16-15(12-14)18(19(21-16)20(26)28-5-2)22-17(25)13-24-10-8-23(3)9-11-24/h6-7,12,21H,4-5,8-11,13H2,1-3H3,(H,22,25)/p+2