methyl N-[2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]ethanoyl]carbamate

Systemtic Name: methyl N-[2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]ethanoyl]carbamate Openeye Name: methyl N-[2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]acetyl]carbamate CAS Name: N-[2-[4-(3-chlorophenyl)-1-piperazin-1-iumyl]-1-oxoethyl]carbamic acid methyl ester IUPAC Name: methyl N-[2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]acetyl]carbamate Traditional Name: N-[2-[4-(3-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=C2)Cl

Isomeric SMILES

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

InChI

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