(2R)-N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-2-(4-ethylpiperazin-1-ium-1-yl)propanamide

Systemtic Name: (2R)-N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-2-(4-ethylpiperazin-1-ium-1-yl)propanamide Openeye Name: (2R)-N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-2-(4-ethylpiperazin-1-ium-1-yl)propanamide CAS Name: (2R)-N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-2-(4-ethyl-1-piperazin-1-iumyl)propanamide IUPAC Name: (2R)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(4-ethylpiperazin-1-ium-1-yl)propanamide Traditional Name: (2R)-2-(4-ethylpiperazin-1-ium-1-yl)-N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)propionamide Formula: C20H30N5O2+ MolecularWeight: 372.4845

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CC[NH+](CC1)C(C)C(=O)NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C

Isomeric SMILES

CCN1CC[NH+](CC1)[C@H](C)C(=O)NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C

InChI

InChI=1S/C20H29N5O2/c1-5-23-11-13-24(14-12-23)16(3)19(26)21-18-15(2)22(4)25(20(18)27)17-9-7-6-8-10-17/h6-10,16H,5,11-14H2,1-4H3,(H,21,26)/p+1/t16-/m1/s1