(2S)-N-(2-methyl-6-propan-2-yl-phenyl)-2-(3-oxidanylidenepiperazin-1-ium-1-yl)propanamide

Systemtic Name: (2S)-N-(2-methyl-6-propan-2-yl-phenyl)-2-(3-oxidanylidenepiperazin-1-ium-1-yl)propanamide Openeye Name: (2S)-N-(2-isopropyl-6-methyl-phenyl)-2-(3-oxopiperazin-1-ium-1-yl)propanamide CAS Name: (2S)-N-(2-methyl-6-propan-2-ylphenyl)-2-(3-oxo-1-piperazin-1-iumyl)propanamide IUPAC Name: (2S)-N-(2-methyl-6-propan-2-ylphenyl)-2-(3-oxopiperazin-1-ium-1-yl)propanamide Traditional Name: (2S)-N-(2-isopropyl-6-methyl-phenyl)-2-(3-ketopiperazin-1-ium-1-yl)propionamide Formula: C17H26N3O2+ MolecularWeight: 304.40724

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C(C)C)NC(=O)C(C)[NH+]2CCNC(=O)C2

Isomeric SMILES

CC1=C(C(=CC=C1)C(C)C)NC(=O)[C@H](C)[NH+]2CCNC(=O)C2

InChI

InChI=1S/C17H25N3O2/c1-11(2)14-7-5-6-12(3)16(14)19-17(22)13(4)20-9-8-18-15(21)10-20/h5-7,11,13H,8-10H2,1-4H3,(H,18,21)(H,19,22)/p+1/t13-/m0/s1