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

Systemtic Name: methyl 2-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-ium-1-yl]ethanoate Openeye Name: methyl 2-[4-(5-chloro-2-methyl-phenyl)piperazin-1-ium-1-yl]acetate CAS Name: 2-[4-(5-chloro-2-methylphenyl)-1-piperazin-1-iumyl]acetic acid methyl ester IUPAC Name: methyl 2-[4-(5-chloro-2-methylphenyl)piperazin-1-ium-1-yl]acetate Traditional Name: 2-[4-(5-chloro-2-methyl-phenyl)piperazin-1-ium-1-yl]acetic acid methyl ester Formula: C14H20ClN2O2+ MolecularWeight: 283.7738

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19ClN2O2/c1-11-3-4-12(15)9-13(11)17-7-5-16(6-8-17)10-14(18)19-2/h3-4,9H,5-8,10H2,1-2H3/p+1