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

Systemtic Name: methyl 4-[2-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-ium-1-yl]ethanoylamino]butanoate Openeye Name: methyl 4-[[2-[4-(5-chloro-2-methyl-phenyl)piperazin-1-ium-1-yl]acetyl]amino]butanoate CAS Name: 4-[[2-[4-(5-chloro-2-methylphenyl)-1-piperazin-1-iumyl]-1-oxoethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[[2-[4-(5-chloro-2-methylphenyl)piperazin-1-ium-1-yl]acetyl]amino]butanoate Traditional Name: 4-[[2-[4-(5-chloro-2-methyl-phenyl)piperazin-1-ium-1-yl]acetyl]amino]butyric acid methyl ester Formula: C18H27ClN3O3+ MolecularWeight: 368.87828

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26ClN3O3/c1-14-5-6-15(19)12-16(14)22-10-8-21(9-11-22)13-17(23)20-7-3-4-18(24)25-2/h5-6,12H,3-4,7-11,13H2,1-2H3,(H,20,23)/p+1