methyl 3-[2-[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]ethanoylamino]-1,5-dimethyl-indole-2-carboxylate

Systemtic Name: methyl 3-[2-[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]ethanoylamino]-1,5-dimethyl-indole-2-carboxylate Openeye Name: methyl 3-[[2-[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]acetyl]amino]-1,5-dimethyl-indole-2-carboxylate CAS Name: 3-[[2-[4-(2-hydroxyethyl)-1-piperazin-1-iumyl]-1-oxoethyl]amino]-1,5-dimethyl-2-indolecarboxylic acid methyl ester IUPAC Name: methyl 3-[[2-[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]acetyl]amino]-1,5-dimethylindole-2-carboxylate Traditional Name: 3-[[2-[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]acetyl]amino]-1,5-dimethyl-indole-2-carboxylic acid methyl ester Formula: C20H29N4O4+ MolecularWeight: 389.46866

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(C(=C2NC(=O)C[NH+]3CCN(CC3)CCO)C(=O)OC)C

Isomeric SMILES

CC1=CC2=C(C=C1)N(C(=C2NC(=O)C[NH+]3CCN(CC3)CCO)C(=O)OC)C

InChI

InChI=1S/C20H28N4O4/c1-14-4-5-16-15(12-14)18(19(22(16)2)20(27)28-3)21-17(26)13-24-8-6-23(7-9-24)10-11-25/h4-5,12,25H,6-11,13H2,1-3H3,(H,21,26)/p+1