(2R)-N-(cyclohexylcarbamoyl)-2-[4-(4-ethanoylphenyl)piperazin-1-ium-1-yl]propanamide

Systemtic Name: (2R)-N-(cyclohexylcarbamoyl)-2-[4-(4-ethanoylphenyl)piperazin-1-ium-1-yl]propanamide Openeye Name: (2R)-2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]-N-(cyclohexylcarbamoyl)propanamide CAS Name: (2R)-2-[4-(4-acetylphenyl)-1-piperazin-1-iumyl]-N-[(cyclohexylamino)-oxomethyl]propanamide IUPAC Name: (2R)-2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]-N-(cyclohexylcarbamoyl)propanamide Traditional Name: (2R)-2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]-N-(cyclohexylcarbamoyl)propionamide Formula: C22H33N4O3+ MolecularWeight: 401.52242

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)NC1CCCCC1)[NH+]2CCN(CC2)C3=CC=C(C=C3)C(=O)C

Isomeric SMILES

C[C@H](C(=O)NC(=O)NC1CCCCC1)[NH+]2CCN(CC2)C3=CC=C(C=C3)C(=O)C

InChI

InChI=1S/C22H32N4O3/c1-16(21(28)24-22(29)23-19-6-4-3-5-7-19)25-12-14-26(15-13-25)20-10-8-18(9-11-20)17(2)27/h8-11,16,19H,3-7,12-15H2,1-2H3,(H2,23,24,28,29)/p+1/t16-/m1/s1