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

Systemtic Name: ethyl N-[2-[4-(4-ethanoylphenyl)piperazin-1-ium-1-yl]ethanoyl]carbamate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C17H24N3O4+ MolecularWeight: 334.39016

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23N3O4/c1-3-24-17(23)18-16(22)12-19-8-10-20(11-9-19)15-6-4-14(5-7-15)13(2)21/h4-7H,3,8-12H2,1-2H3,(H,18,22,23)/p+1