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

Systemtic Name: methyl 4-chloranyl-3-[2-(4-ethoxycarbonylpiperazin-1-ium-1-yl)ethanoylamino]-1H-indole-2-carboxylate Openeye Name: methyl 4-chloro-3-[[2-(4-ethoxycarbonylpiperazin-1-ium-1-yl)acetyl]amino]-1H-indole-2-carboxylate CAS Name: 4-chloro-3-[[2-(4-ethoxycarbonyl-1-piperazin-1-iumyl)-1-oxoethyl]amino]-1H-indole-2-carboxylic acid methyl ester IUPAC Name: methyl 4-chloro-3-[[2-(4-ethoxycarbonylpiperazin-1-ium-1-yl)acetyl]amino]-1H-indole-2-carboxylate Traditional Name: 3-[[2-(4-carbethoxypiperazin-1-ium-1-yl)acetyl]amino]-4-chloro-1H-indole-2-carboxylic acid methyl ester Formula: C19H24ClN4O5+ MolecularWeight: 423.87066

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC[NH+](CC1)CC(=O)NC2=C(NC3=C2C(=CC=C3)Cl)C(=O)OC

Isomeric SMILES

CCOC(=O)N1CC[NH+](CC1)CC(=O)NC2=C(NC3=C2C(=CC=C3)Cl)C(=O)OC

InChI

InChI=1S/C19H23ClN4O5/c1-3-29-19(27)24-9-7-23(8-10-24)11-14(25)22-16-15-12(20)5-4-6-13(15)21-17(16)18(26)28-2/h4-6,21H,3,7-11H2,1-2H3,(H,22,25)/p+1