(4-methylpiperazin-4-ium-1-yl)-(1-phenyl-5-propan-2-yl-pyrazol-4-yl)methanone

Systemtic Name: (4-methylpiperazin-4-ium-1-yl)-(1-phenyl-5-propan-2-yl-pyrazol-4-yl)methanone Openeye Name: (5-isopropyl-1-phenyl-pyrazol-4-yl)-(4-methylpiperazin-4-ium-1-yl)methanone CAS Name: (4-methyl-1-piperazin-4-iumyl)-(1-phenyl-5-propan-2-yl-4-pyrazolyl)methanone IUPAC Name: (4-methylpiperazin-4-ium-1-yl)-(1-phenyl-5-propan-2-ylpyrazol-4-yl)methanone Traditional Name: (5-isopropyl-1-phenyl-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:

CC(C)C1=C(C=NN1C2=CC=CC=C2)C(=O)N3CC[NH+](CC3)C

Isomeric SMILES

CC(C)C1=C(C=NN1C2=CC=CC=C2)C(=O)N3CC[NH+](CC3)C

InChI

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