(5-methyl-1,3-diphenyl-pyrazol-4-yl)-piperazin-4-ium-1-yl-methanone

Systemtic Name: (5-methyl-1,3-diphenyl-pyrazol-4-yl)-piperazin-4-ium-1-yl-methanone Openeye Name: (5-methyl-1,3-diphenyl-pyrazol-4-yl)-piperazin-4-ium-1-yl-methanone CAS Name: (5-methyl-1,3-diphenyl-4-pyrazolyl)-(1-piperazin-4-iumyl)methanone IUPAC Name: (5-methyl-1,3-diphenylpyrazol-4-yl)-piperazin-4-ium-1-ylmethanone Traditional Name: (5-methyl-1,3-diphenyl-pyrazol-4-yl)-piperazin-4-ium-1-yl-methanone Formula: C21H23N4O+ MolecularWeight: 347.43352

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C3=CC=CC=C3)C(=O)N4CC[NH2+]CC4

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C3=CC=CC=C3)C(=O)N4CC[NH2+]CC4

InChI

InChI=1S/C21H22N4O/c1-16-19(21(26)24-14-12-22-13-15-24)20(17-8-4-2-5-9-17)23-25(16)18-10-6-3-7-11-18/h2-11,22H,12-15H2,1H3/p+1