methyl 4-chloranyl-3-[2-(4-methylpiperazin-1-ium-1-yl)ethanoylamino]benzoate

Systemtic Name: methyl 4-chloranyl-3-[2-(4-methylpiperazin-1-ium-1-yl)ethanoylamino]benzoate Openeye Name: methyl 4-chloro-3-[[2-(4-methylpiperazin-1-ium-1-yl)acetyl]amino]benzoate CAS Name: 4-chloro-3-[[2-(4-methyl-1-piperazin-1-iumyl)-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-chloro-3-[[2-(4-methylpiperazin-1-ium-1-yl)acetyl]amino]benzoate Traditional Name: 4-chloro-3-[[2-(4-methylpiperazin-1-ium-1-yl)acetyl]amino]benzoic acid methyl ester Formula: C15H21ClN3O3+ MolecularWeight: 326.79854

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC[NH+](CC1)CC(=O)NC2=C(C=CC(=C2)C(=O)OC)Cl

Isomeric SMILES

CN1CC[NH+](CC1)CC(=O)NC2=C(C=CC(=C2)C(=O)OC)Cl

InChI

InChI=1S/C15H20ClN3O3/c1-18-5-7-19(8-6-18)10-14(20)17-13-9-11(15(21)22-2)3-4-12(13)16/h3-4,9H,5-8,10H2,1-2H3,(H,17,20)/p+1