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

Systemtic Name: methyl 3-[2-(4-methylpiperazin-1-ium-1-yl)ethanoylamino]-1H-indole-2-carboxylate Openeye Name: methyl 3-[[2-(4-methylpiperazin-1-ium-1-yl)acetyl]amino]-1H-indole-2-carboxylate CAS Name: 3-[[2-(4-methyl-1-piperazin-1-iumyl)-1-oxoethyl]amino]-1H-indole-2-carboxylic acid methyl ester IUPAC Name: methyl 3-[[2-(4-methylpiperazin-1-ium-1-yl)acetyl]amino]-1H-indole-2-carboxylate Traditional Name: 3-[[2-(4-methylpiperazin-1-ium-1-yl)acetyl]amino]-1H-indole-2-carboxylic acid methyl ester Formula: C17H23N4O3+ MolecularWeight: 331.38952

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CC[NH+](CC1)CC(=O)NC2=C(NC3=CC=CC=C32)C(=O)OC

Isomeric SMILES

CN1CC[NH+](CC1)CC(=O)NC2=C(NC3=CC=CC=C32)C(=O)OC

InChI

InChI=1S/C17H22N4O3/c1-20-7-9-21(10-8-20)11-14(22)19-15-12-5-3-4-6-13(12)18-16(15)17(23)24-2/h3-6,18H,7-11H2,1-2H3,(H,19,22)/p+1