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

Systemtic Name: N-[(1S)-1-(3,4-dimethylphenyl)ethyl]-2-(3-oxidanylidenepiperazin-1-ium-1-yl)ethanamide Openeye Name: N-[(1S)-1-(3,4-dimethylphenyl)ethyl]-2-(3-oxopiperazin-1-ium-1-yl)acetamide CAS Name: N-[(1S)-1-(3,4-dimethylphenyl)ethyl]-2-(3-oxo-1-piperazin-1-iumyl)acetamide IUPAC Name: N-[(1S)-1-(3,4-dimethylphenyl)ethyl]-2-(3-oxopiperazin-1-ium-1-yl)acetamide Traditional Name: N-[(1S)-1-(3,4-dimethylphenyl)ethyl]-2-(3-ketopiperazin-1-ium-1-yl)acetamide Formula: C16H24N3O2+ MolecularWeight: 290.38066

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23N3O2/c1-11-4-5-14(8-12(11)2)13(3)18-16(21)10-19-7-6-17-15(20)9-19/h4-5,8,13H,6-7,9-10H2,1-3H3,(H,17,20)(H,18,21)/p+1/t13-/m0/s1