methyl 3-[2-[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]ethanoylamino]-6-methyl-1H-indole-2-carboxylate

Systemtic Name: methyl 3-[2-[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]ethanoylamino]-6-methyl-1H-indole-2-carboxylate Openeye Name: methyl 3-[[2-[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]acetyl]amino]-6-methyl-1H-indole-2-carboxylate CAS Name: 3-[[2-[4-(2-hydroxyethyl)-1-piperazin-1-iumyl]-1-oxoethyl]amino]-6-methyl-1H-indole-2-carboxylic acid methyl ester IUPAC Name: methyl 3-[[2-[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]acetyl]amino]-6-methyl-1H-indole-2-carboxylate Traditional Name: 3-[[2-[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]acetyl]amino]-6-methyl-1H-indole-2-carboxylic acid methyl ester Formula: C19H27N4O4+ MolecularWeight: 375.44208

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=C(N2)C(=O)OC)NC(=O)C[NH+]3CCN(CC3)CCO

Isomeric SMILES

CC1=CC2=C(C=C1)C(=C(N2)C(=O)OC)NC(=O)C[NH+]3CCN(CC3)CCO

InChI

InChI=1S/C19H26N4O4/c1-13-3-4-14-15(11-13)20-18(19(26)27-2)17(14)21-16(25)12-23-7-5-22(6-8-23)9-10-24/h3-4,11,20,24H,5-10,12H2,1-2H3,(H,21,25)/p+1