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

Systemtic Name: methyl 4-chloranyl-3-[2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]ethanoylamino]-1H-indole-2-carboxylate Openeye Name: methyl 4-chloro-3-[[2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]acetyl]amino]-1H-indole-2-carboxylate CAS Name: 4-chloro-3-[[2-[4-(2-methoxyphenyl)-1-piperazin-1-iumyl]-1-oxoethyl]amino]-1H-indole-2-carboxylic acid methyl ester IUPAC Name: methyl 4-chloro-3-[[2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]acetyl]amino]-1H-indole-2-carboxylate Traditional Name: 4-chloro-3-[[2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]acetyl]amino]-1H-indole-2-carboxylic acid methyl ester Formula: C23H26ClN4O4+ MolecularWeight: 457.92994

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CC[NH+](CC2)CC(=O)NC3=C(NC4=C3C(=CC=C4)Cl)C(=O)OC

Isomeric SMILES

COC1=CC=CC=C1N2CC[NH+](CC2)CC(=O)NC3=C(NC4=C3C(=CC=C4)Cl)C(=O)OC

InChI

InChI=1S/C23H25ClN4O4/c1-31-18-9-4-3-8-17(18)28-12-10-27(11-13-28)14-19(29)26-21-20-15(24)6-5-7-16(20)25-22(21)23(30)32-2/h3-9,25H,10-14H2,1-2H3,(H,26,29)/p+1