methyl N-[2-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-ium-1-yl]ethanoyl]carbamate

Systemtic Name: methyl N-[2-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-ium-1-yl]ethanoyl]carbamate Openeye Name: methyl N-[2-[4-(5-chloro-2-methyl-phenyl)piperazin-1-ium-1-yl]acetyl]carbamate CAS Name: N-[2-[4-(5-chloro-2-methylphenyl)-1-piperazin-1-iumyl]-1-oxoethyl]carbamic acid methyl ester IUPAC Name: methyl N-[2-[4-(5-chloro-2-methylphenyl)piperazin-1-ium-1-yl]acetyl]carbamate Traditional Name: N-[2-[4-(5-chloro-2-methyl-phenyl)piperazin-1-ium-1-yl]acetyl]carbamic acid methyl ester Formula: C15H21ClN3O3+ MolecularWeight: 326.79854

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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