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

Systemtic Name: ethyl N-[2-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-ium-1-yl]ethanoyl]carbamate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C16H23ClN3O3+ MolecularWeight: 340.82512

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NC(=O)C[NH+]1CCN(CC1)C2=C(C=CC(=C2)Cl)C

Isomeric SMILES

CCOC(=O)NC(=O)C[NH+]1CCN(CC1)C2=C(C=CC(=C2)Cl)C

InChI

InChI=1S/C16H22ClN3O3/c1-3-23-16(22)18-15(21)11-19-6-8-20(9-7-19)14-10-13(17)5-4-12(14)2/h4-5,10H,3,6-9,11H2,1-2H3,(H,18,21,22)/p+1