N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-2-(4-propylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-2-(4-propylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-2-(4-propylpiperazin-1-ium-1-yl)acetamide CAS Name: N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-2-(4-propyl-1-piperazin-1-iumyl)acetamide IUPAC Name: N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(4-propylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)-2-(4-propylpiperazin-1-ium-1-yl)acetamide Formula: C20H30N5O2+ MolecularWeight: 372.4845

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1CC[NH+](CC1)CC(=O)NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C

Isomeric SMILES

CCCN1CC[NH+](CC1)CC(=O)NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C

InChI

InChI=1S/C20H29N5O2/c1-4-10-23-11-13-24(14-12-23)15-18(26)21-19-16(2)22(3)25(20(19)27)17-8-6-5-7-9-17/h5-9H,4,10-15H2,1-3H3,(H,21,26)/p+1