ethyl 3-[2-[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]ethanoylamino]-5-methoxy-1H-indole-2-carboxylate

Systemtic Name: ethyl 3-[2-[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]ethanoylamino]-5-methoxy-1H-indole-2-carboxylate Openeye Name: ethyl 3-[[2-[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]acetyl]amino]-5-methoxy-1H-indole-2-carboxylate CAS Name: 3-[[2-[4-(2-hydroxyethyl)-1-piperazin-1-iumyl]-1-oxoethyl]amino]-5-methoxy-1H-indole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3-[[2-[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]acetyl]amino]-5-methoxy-1H-indole-2-carboxylate Traditional Name: 3-[[2-[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]acetyl]amino]-5-methoxy-1H-indole-2-carboxylic acid ethyl ester Formula: C20H29N4O5+ MolecularWeight: 405.46806

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(N1)C=CC(=C2)OC)NC(=O)C[NH+]3CCN(CC3)CCO

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N1)C=CC(=C2)OC)NC(=O)C[NH+]3CCN(CC3)CCO

InChI

InChI=1S/C20H28N4O5/c1-3-29-20(27)19-18(15-12-14(28-2)4-5-16(15)21-19)22-17(26)13-24-8-6-23(7-9-24)10-11-25/h4-5,12,21,25H,3,6-11,13H2,1-2H3,(H,22,26)/p+1