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

Systemtic Name: methyl N-[2-[4-(phenylcarbonyl)piperazin-1-ium-1-yl]ethanoyl]carbamate Openeye Name: methyl N-[2-(4-benzoylpiperazin-1-ium-1-yl)acetyl]carbamate CAS Name: N-[2-(4-benzoyl-1-piperazin-1-iumyl)-1-oxoethyl]carbamic acid methyl ester IUPAC Name: methyl N-[2-(4-benzoylpiperazin-1-ium-1-yl)acetyl]carbamate Traditional Name: N-[2-(4-benzoylpiperazin-1-ium-1-yl)acetyl]carbamic acid methyl ester Formula: C15H20N3O4+ MolecularWeight: 306.337

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H19N3O4/c1-22-15(21)16-13(19)11-17-7-9-18(10-8-17)14(20)12-5-3-2-4-6-12/h2-6H,7-11H2,1H3,(H,16,19,21)/p+1