N-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]-2-(3-oxidanylidenepiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]-2-(3-oxidanylidenepiperazin-1-ium-1-yl)ethanamide Openeye Name: N-[(1S)-1-(4-isobutylphenyl)ethyl]-2-(3-oxopiperazin-1-ium-1-yl)acetamide CAS Name: N-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]-2-(3-oxo-1-piperazin-1-iumyl)acetamide IUPAC Name: N-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]-2-(3-oxopiperazin-1-ium-1-yl)acetamide Traditional Name: N-[(1S)-1-(4-isobutylphenyl)ethyl]-2-(3-ketopiperazin-1-ium-1-yl)acetamide Formula: C18H28N3O2+ MolecularWeight: 318.43382

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H27N3O2/c1-13(2)10-15-4-6-16(7-5-15)14(3)20-18(23)12-21-9-8-19-17(22)11-21/h4-7,13-14H,8-12H2,1-3H3,(H,19,22)(H,20,23)/p+1/t14-/m0/s1