N-[[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]methyl]-1,3-diphenyl-pyrazole-4-carboxamide

Systemtic Name: N-[[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]methyl]-1,3-diphenyl-pyrazole-4-carboxamide Openeye Name: N-[[6-(4-methylpiperazin-4-ium-1-yl)-3-pyridyl]methyl]-1,3-diphenyl-pyrazole-4-carboxamide CAS Name: N-[[6-(4-methyl-1-piperazin-4-iumyl)-3-pyridinyl]methyl]-1,3-diphenyl-4-pyrazolecarboxamide IUPAC Name: N-[[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]methyl]-1,3-diphenylpyrazole-4-carboxamide Traditional Name: N-[[6-(4-methylpiperazin-4-ium-1-yl)-3-pyridyl]methyl]-1,3-diphenyl-pyrazole-4-carboxamide Formula: C27H29N6O+ MolecularWeight: 453.55876

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=NC=C(C=C2)CNC(=O)C3=CN(N=C3C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C[NH+]1CCN(CC1)C2=NC=C(C=C2)CNC(=O)C3=CN(N=C3C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C27H28N6O/c1-31-14-16-32(17-15-31)25-13-12-21(18-28-25)19-29-27(34)24-20-33(23-10-6-3-7-11-23)30-26(24)22-8-4-2-5-9-22/h2-13,18,20H,14-17,19H2,1H3,(H,29,34)/p+1