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

Systemtic Name: methyl 4-chloranyl-3-[2-(4-ethylpiperazin-1-ium-1-yl)ethanoylamino]-1H-indole-2-carboxylate Openeye Name: methyl 4-chloro-3-[[2-(4-ethylpiperazin-1-ium-1-yl)acetyl]amino]-1H-indole-2-carboxylate CAS Name: 4-chloro-3-[[2-(4-ethyl-1-piperazin-1-iumyl)-1-oxoethyl]amino]-1H-indole-2-carboxylic acid methyl ester IUPAC Name: methyl 4-chloro-3-[[2-(4-ethylpiperazin-1-ium-1-yl)acetyl]amino]-1H-indole-2-carboxylate Traditional Name: 4-chloro-3-[[2-(4-ethylpiperazin-1-ium-1-yl)acetyl]amino]-1H-indole-2-carboxylic acid methyl ester Formula: C18H24ClN4O3+ MolecularWeight: 379.86116

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CC[NH+](CC1)CC(=O)NC2=C(NC3=C2C(=CC=C3)Cl)C(=O)OC

Isomeric SMILES

CCN1CC[NH+](CC1)CC(=O)NC2=C(NC3=C2C(=CC=C3)Cl)C(=O)OC

InChI

InChI=1S/C18H23ClN4O3/c1-3-22-7-9-23(10-8-22)11-14(24)21-16-15-12(19)5-4-6-13(15)20-17(16)18(25)26-2/h4-6,20H,3,7-11H2,1-2H3,(H,21,24)/p+1