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

Systemtic Name: (2R)-N-(4-ethanoylphenyl)-2-[4-(2-methylpropanoyl)piperazin-1-ium-1-yl]propanamide Openeye Name: (2R)-N-(4-acetylphenyl)-2-[4-(2-methylpropanoyl)piperazin-1-ium-1-yl]propanamide CAS Name: (2R)-N-(4-acetylphenyl)-2-[4-(2-methyl-1-oxopropyl)-1-piperazin-1-iumyl]propanamide IUPAC Name: (2R)-N-(4-acetylphenyl)-2-[4-(2-methylpropanoyl)piperazin-1-ium-1-yl]propanamide Traditional Name: (2R)-N-(4-acetylphenyl)-2-(4-isobutyrylpiperazin-1-ium-1-yl)propionamide Formula: C19H28N3O3+ MolecularWeight: 346.44392

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)N1CC[NH+](CC1)C(C)C(=O)NC2=CC=C(C=C2)C(=O)C

Isomeric SMILES

C[C@H](C(=O)NC1=CC=C(C=C1)C(=O)C)[NH+]2CCN(CC2)C(=O)C(C)C

InChI

InChI=1S/C19H27N3O3/c1-13(2)19(25)22-11-9-21(10-12-22)14(3)18(24)20-17-7-5-16(6-8-17)15(4)23/h5-8,13-14H,9-12H2,1-4H3,(H,20,24)/p+1/t14-/m1/s1