[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-(4-ethylpiperazin-4-ium-1-yl)methanone

Systemtic Name: [3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-(4-ethylpiperazin-4-ium-1-yl)methanone Openeye Name: [3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-(4-ethylpiperazin-4-ium-1-yl)methanone CAS Name: [3-[(3,5-dimethyl-1-pyrazolyl)methyl]phenyl]-(4-ethyl-1-piperazin-4-iumyl)methanone IUPAC Name: [3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-(4-ethylpiperazin-4-ium-1-yl)methanone Traditional Name: [3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-(4-ethylpiperazin-4-ium-1-yl)methanone Formula: C19H27N4O+ MolecularWeight: 327.44388

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C(=O)C2=CC(=CC=C2)CN3C(=CC(=N3)C)C

Isomeric SMILES

CC[NH+]1CCN(CC1)C(=O)C2=CC(=CC=C2)CN3C(=CC(=N3)C)C

InChI

InChI=1S/C19H26N4O/c1-4-21-8-10-22(11-9-21)19(24)18-7-5-6-17(13-18)14-23-16(3)12-15(2)20-23/h5-7,12-13H,4,8-11,14H2,1-3H3/p+1