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

Systemtic Name: methyl 3-[2-[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]ethanoylamino]-1H-indole-2-carboxylate Openeye Name: methyl 3-[[2-[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]acetyl]amino]-1H-indole-2-carboxylate CAS Name: 3-[[2-[4-(2-hydroxyethyl)-1-piperazin-1-iumyl]-1-oxoethyl]amino]-1H-indole-2-carboxylic acid methyl ester IUPAC Name: methyl 3-[[2-[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]acetyl]amino]-1H-indole-2-carboxylate Traditional Name: 3-[[2-[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]acetyl]amino]-1H-indole-2-carboxylic acid methyl ester Formula: C18H25N4O4+ MolecularWeight: 361.4155

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=CC=CC=C2N1)NC(=O)C[NH+]3CCN(CC3)CCO

Isomeric SMILES

COC(=O)C1=C(C2=CC=CC=C2N1)NC(=O)C[NH+]3CCN(CC3)CCO

InChI

InChI=1S/C18H24N4O4/c1-26-18(25)17-16(13-4-2-3-5-14(13)19-17)20-15(24)12-22-8-6-21(7-9-22)10-11-23/h2-5,19,23H,6-12H2,1H3,(H,20,24)/p+1