(2S)-N-aminocarbonyl-2-[4-(2-methyl-2-phenyl-propanoyl)piperazin-1-ium-1-yl]propanamide

Systemtic Name: (2S)-N-aminocarbonyl-2-[4-(2-methyl-2-phenyl-propanoyl)piperazin-1-ium-1-yl]propanamide Openeye Name: (2S)-N-carbamoyl-2-[4-(2-methyl-2-phenyl-propanoyl)piperazin-1-ium-1-yl]propanamide CAS Name: (2S)-N-carbamoyl-2-[4-(2-methyl-1-oxo-2-phenylpropyl)-1-piperazin-1-iumyl]propanamide IUPAC Name: (2S)-N-carbamoyl-2-[4-(2-methyl-2-phenylpropanoyl)piperazin-1-ium-1-yl]propanamide Traditional Name: (2S)-N-carbamoyl-2-[4-(2-methyl-2-phenyl-propanoyl)piperazin-1-ium-1-yl]propionamide Formula: C18H27N4O3+ MolecularWeight: 347.43198

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26N4O3/c1-13(15(23)20-17(19)25)21-9-11-22(12-10-21)16(24)18(2,3)14-7-5-4-6-8-14/h4-8,13H,9-12H2,1-3H3,(H3,19,20,23,25)/p+1/t13-/m0/s1