(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-(4-ethylpiperazin-4-ium-1-yl)methanone

Systemtic Name: (3,5-dimethyl-1-phenyl-pyrazol-4-yl)-(4-ethylpiperazin-4-ium-1-yl)methanone Openeye Name: (3,5-dimethyl-1-phenyl-pyrazol-4-yl)-(4-ethylpiperazin-4-ium-1-yl)methanone CAS Name: (3,5-dimethyl-1-phenyl-4-pyrazolyl)-(4-ethyl-1-piperazin-4-iumyl)methanone IUPAC Name: (3,5-dimethyl-1-phenylpyrazol-4-yl)-(4-ethylpiperazin-4-ium-1-yl)methanone Traditional Name: (3,5-dimethyl-1-phenyl-pyrazol-4-yl)-(4-ethylpiperazin-4-ium-1-yl)methanone Formula: C18H25N4O+ MolecularWeight: 313.4173

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C(=O)C2=C(N(N=C2C)C3=CC=CC=C3)C

Isomeric SMILES

CC[NH+]1CCN(CC1)C(=O)C2=C(N(N=C2C)C3=CC=CC=C3)C

InChI

InChI=1S/C18H24N4O/c1-4-20-10-12-21(13-11-20)18(23)17-14(2)19-22(15(17)3)16-8-6-5-7-9-16/h5-9H,4,10-13H2,1-3H3/p+1