methyl 3-[2-(4-ethoxycarbonylpiperazin-1-ium-1-yl)ethanoylamino]-1H-indole-2-carboxylate

Systemtic Name: methyl 3-[2-(4-ethoxycarbonylpiperazin-1-ium-1-yl)ethanoylamino]-1H-indole-2-carboxylate Openeye Name: methyl 3-[[2-(4-ethoxycarbonylpiperazin-1-ium-1-yl)acetyl]amino]-1H-indole-2-carboxylate CAS Name: 3-[[2-(4-ethoxycarbonyl-1-piperazin-1-iumyl)-1-oxoethyl]amino]-1H-indole-2-carboxylic acid methyl ester IUPAC Name: methyl 3-[[2-(4-ethoxycarbonylpiperazin-1-ium-1-yl)acetyl]amino]-1H-indole-2-carboxylate Traditional Name: 3-[[2-(4-carbethoxypiperazin-1-ium-1-yl)acetyl]amino]-1H-indole-2-carboxylic acid methyl ester Formula: C19H25N4O5+ MolecularWeight: 389.4256

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC[NH+](CC1)CC(=O)NC2=C(NC3=CC=CC=C32)C(=O)OC

Isomeric SMILES

CCOC(=O)N1CC[NH+](CC1)CC(=O)NC2=C(NC3=CC=CC=C32)C(=O)OC

InChI

InChI=1S/C19H24N4O5/c1-3-28-19(26)23-10-8-22(9-11-23)12-15(24)21-16-13-6-4-5-7-14(13)20-17(16)18(25)27-2/h4-7,20H,3,8-12H2,1-2H3,(H,21,24)/p+1