(1,5-diphenylpyrazol-4-yl)-(4-methylpiperazin-4-ium-1-yl)methanone

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)C2=C(N(N=C2)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)C2=C(N(N=C2)C3=CC=CC=C3)C4=CC=CC=C4

InChI

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