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

Systemtic Name: (2R)-2-[4-(2-methylpropanoyl)piperazin-1-ium-1-yl]-N-[(phenylmethyl)carbamoyl]propanamide Openeye Name: (2R)-N-(benzylcarbamoyl)-2-[4-(2-methylpropanoyl)piperazin-1-ium-1-yl]propanamide CAS Name: (2R)-2-[4-(2-methyl-1-oxopropyl)-1-piperazin-1-iumyl]-N-[oxo-[(phenylmethyl)amino]methyl]propanamide IUPAC Name: (2R)-N-(benzylcarbamoyl)-2-[4-(2-methylpropanoyl)piperazin-1-ium-1-yl]propanamide Traditional Name: (2R)-N-(benzylcarbamoyl)-2-(4-isobutyrylpiperazin-1-ium-1-yl)propionamide Formula: C19H29N4O3+ MolecularWeight: 361.45856

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)N1CC[NH+](CC1)C(C)C(=O)NC(=O)NCC2=CC=CC=C2

Isomeric SMILES

C[C@H](C(=O)NC(=O)NCC1=CC=CC=C1)[NH+]2CCN(CC2)C(=O)C(C)C

InChI

InChI=1S/C19H28N4O3/c1-14(2)18(25)23-11-9-22(10-12-23)15(3)17(24)21-19(26)20-13-16-7-5-4-6-8-16/h4-8,14-15H,9-13H2,1-3H3,(H2,20,21,24,26)/p+1/t15-/m1/s1