methyl N-[2-[4-(2-chlorophenyl)piperazin-1-ium-1-yl]ethanoyl]carbamate

Systemtic Name: methyl N-[2-[4-(2-chlorophenyl)piperazin-1-ium-1-yl]ethanoyl]carbamate Openeye Name: methyl N-[2-[4-(2-chlorophenyl)piperazin-1-ium-1-yl]acetyl]carbamate CAS Name: N-[2-[4-(2-chlorophenyl)-1-piperazin-1-iumyl]-1-oxoethyl]carbamic acid methyl ester IUPAC Name: methyl N-[2-[4-(2-chlorophenyl)piperazin-1-ium-1-yl]acetyl]carbamate Traditional Name: N-[2-[4-(2-chlorophenyl)piperazin-1-ium-1-yl]acetyl]carbamic acid methyl ester Formula: C14H19ClN3O3+ MolecularWeight: 312.77196

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)NC(=O)C[NH+]1CCN(CC1)C2=CC=CC=C2Cl

Isomeric SMILES

COC(=O)NC(=O)C[NH+]1CCN(CC1)C2=CC=CC=C2Cl

InChI

InChI=1S/C14H18ClN3O3/c1-21-14(20)16-13(19)10-17-6-8-18(9-7-17)12-5-3-2-4-11(12)15/h2-5H,6-10H2,1H3,(H,16,19,20)/p+1