methyl 5-bromanyl-3-[2-(4-methylpiperazin-1-ium-1-yl)ethanoylamino]-1H-indole-2-carboxylate

Systemtic Name: methyl 5-bromanyl-3-[2-(4-methylpiperazin-1-ium-1-yl)ethanoylamino]-1H-indole-2-carboxylate Openeye Name: methyl 5-bromo-3-[[2-(4-methylpiperazin-1-ium-1-yl)acetyl]amino]-1H-indole-2-carboxylate CAS Name: 5-bromo-3-[[2-(4-methyl-1-piperazin-1-iumyl)-1-oxoethyl]amino]-1H-indole-2-carboxylic acid methyl ester IUPAC Name: methyl 5-bromo-3-[[2-(4-methylpiperazin-1-ium-1-yl)acetyl]amino]-1H-indole-2-carboxylate Traditional Name: 5-bromo-3-[[2-(4-methylpiperazin-1-ium-1-yl)acetyl]amino]-1H-indole-2-carboxylic acid methyl ester Formula: C17H22BrN4O3+ MolecularWeight: 410.28558

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC[NH+](CC1)CC(=O)NC2=C(NC3=C2C=C(C=C3)Br)C(=O)OC

Isomeric SMILES

CN1CC[NH+](CC1)CC(=O)NC2=C(NC3=C2C=C(C=C3)Br)C(=O)OC

InChI

InChI=1S/C17H21BrN4O3/c1-21-5-7-22(8-6-21)10-14(23)20-15-12-9-11(18)3-4-13(12)19-16(15)17(24)25-2/h3-4,9,19H,5-8,10H2,1-2H3,(H,20,23)/p+1