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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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