[5-ethyl-1-(phenylmethyl)pyrazol-4-yl]-(4-methylpiperazin-4-ium-1-yl)methanone

Systemtic Name: [5-ethyl-1-(phenylmethyl)pyrazol-4-yl]-(4-methylpiperazin-4-ium-1-yl)methanone Openeye Name: (1-benzyl-5-ethyl-pyrazol-4-yl)-(4-methylpiperazin-4-ium-1-yl)methanone CAS Name: [5-ethyl-1-(phenylmethyl)-4-pyrazolyl]-(4-methyl-1-piperazin-4-iumyl)methanone IUPAC Name: (1-benzyl-5-ethylpyrazol-4-yl)-(4-methylpiperazin-4-ium-1-yl)methanone Traditional Name: (1-benzyl-5-ethyl-pyrazol-4-yl)-(4-methylpiperazin-4-ium-1-yl)methanone Formula: C18H25N4O+ MolecularWeight: 313.4173

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=NN1CC2=CC=CC=C2)C(=O)N3CC[NH+](CC3)C

Isomeric SMILES

CCC1=C(C=NN1CC2=CC=CC=C2)C(=O)N3CC[NH+](CC3)C

InChI

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