methyl 4-[2-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-ium-1-yl]ethanoylamino]benzoate

Systemtic Name: methyl 4-[2-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-ium-1-yl]ethanoylamino]benzoate Openeye Name: methyl 4-[[2-[4-(5-chloro-2-methyl-phenyl)piperazin-1-ium-1-yl]acetyl]amino]benzoate CAS Name: 4-[[2-[4-(5-chloro-2-methylphenyl)-1-piperazin-1-iumyl]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[4-(5-chloro-2-methylphenyl)piperazin-1-ium-1-yl]acetyl]amino]benzoate Traditional Name: 4-[[2-[4-(5-chloro-2-methyl-phenyl)piperazin-1-ium-1-yl]acetyl]amino]benzoic acid methyl ester Formula: C21H25ClN3O3+ MolecularWeight: 402.8945

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)N2CC[NH+](CC2)CC(=O)NC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)N2CC[NH+](CC2)CC(=O)NC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C21H24ClN3O3/c1-15-3-6-17(22)13-19(15)25-11-9-24(10-12-25)14-20(26)23-18-7-4-16(5-8-18)21(27)28-2/h3-8,13H,9-12,14H2,1-2H3,(H,23,26)/p+1