N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-2-(3-oxidanylidenepiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-2-(3-oxidanylidenepiperazin-1-ium-1-yl)ethanamide Openeye Name: N-[3,5-dimethyl-1-(p-tolyl)pyrazol-4-yl]-2-(3-oxopiperazin-1-ium-1-yl)acetamide CAS Name: N-[3,5-dimethyl-1-(4-methylphenyl)-4-pyrazolyl]-2-(3-oxo-1-piperazin-1-iumyl)acetamide IUPAC Name: N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-2-(3-oxopiperazin-1-ium-1-yl)acetamide Traditional Name: N-[3,5-dimethyl-1-(p-tolyl)pyrazol-4-yl]-2-(3-ketopiperazin-1-ium-1-yl)acetamide Formula: C18H24N5O2+ MolecularWeight: 342.41546

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=C(C(=N2)C)NC(=O)C[NH+]3CCNC(=O)C3)C

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=C(C(=N2)C)NC(=O)C[NH+]3CCNC(=O)C3)C

InChI

InChI=1S/C18H23N5O2/c1-12-4-6-15(7-5-12)23-14(3)18(13(2)21-23)20-17(25)11-22-9-8-19-16(24)10-22/h4-7H,8-11H2,1-3H3,(H,19,24)(H,20,25)/p+1