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

Systemtic Name: methyl N-[(2R)-2-[4-(4-ethanoylphenyl)piperazin-1-ium-1-yl]propanoyl]carbamate Openeye Name: methyl N-[(2R)-2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]propanoyl]carbamate CAS Name: N-[(2R)-2-[4-(4-acetylphenyl)-1-piperazin-1-iumyl]-1-oxopropyl]carbamic acid methyl ester IUPAC Name: methyl N-[(2R)-2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]propanoyl]carbamate Traditional Name: N-[(2R)-2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]propanoyl]carbamic acid methyl ester Formula: C17H24N3O4+ MolecularWeight: 334.39016

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@H](C(=O)NC(=O)OC)[NH+]1CCN(CC1)C2=CC=C(C=C2)C(=O)C

InChI

InChI=1S/C17H23N3O4/c1-12(16(22)18-17(23)24-3)19-8-10-20(11-9-19)15-6-4-14(5-7-15)13(2)21/h4-7,12H,8-11H2,1-3H3,(H,18,22,23)/p+1/t12-/m1/s1