(4-ethylpiperazin-4-ium-1-yl)-[5-methyl-1-(phenylmethyl)pyrazol-4-yl]methanone

Systemtic Name: (4-ethylpiperazin-4-ium-1-yl)-[5-methyl-1-(phenylmethyl)pyrazol-4-yl]methanone Openeye Name: (1-benzyl-5-methyl-pyrazol-4-yl)-(4-ethylpiperazin-4-ium-1-yl)methanone CAS Name: (4-ethyl-1-piperazin-4-iumyl)-[5-methyl-1-(phenylmethyl)-4-pyrazolyl]methanone IUPAC Name: (1-benzyl-5-methylpyrazol-4-yl)-(4-ethylpiperazin-4-ium-1-yl)methanone Traditional Name: (1-benzyl-5-methyl-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=C2)CC3=CC=CC=C3)C

Isomeric SMILES

CC[NH+]1CCN(CC1)C(=O)C2=C(N(N=C2)CC3=CC=CC=C3)C

InChI

InChI=1S/C18H24N4O/c1-3-20-9-11-21(12-10-20)18(23)17-13-19-22(15(17)2)14-16-7-5-4-6-8-16/h4-8,13H,3,9-12,14H2,1-2H3/p+1