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

Systemtic Name: methyl N-[2-[4-(4-ethanoylphenyl)piperazin-1-ium-1-yl]ethanoyl]carbamate Openeye Name: methyl N-[2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]acetyl]carbamate CAS Name: N-[2-[4-(4-acetylphenyl)-1-piperazin-1-iumyl]-1-oxoethyl]carbamic acid methyl ester IUPAC Name: methyl N-[2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]acetyl]carbamate Traditional Name: N-[2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]acetyl]carbamic acid methyl ester Formula: C16H22N3O4+ MolecularWeight: 320.36358

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21N3O4/c1-12(20)13-3-5-14(6-4-13)19-9-7-18(8-10-19)11-15(21)17-16(22)23-2/h3-6H,7-11H2,1-2H3,(H,17,21,22)/p+1