[4-(6-methylpyridin-1-ium-2-yl)piperazin-1-yl]-[5-[(2-propan-2-ylimidazol-1-yl)methyl]-1H-pyrazol-3-yl]methanone

Systemtic Name: [4-(6-methylpyridin-1-ium-2-yl)piperazin-1-yl]-[5-[(2-propan-2-ylimidazol-1-yl)methyl]-1H-pyrazol-3-yl]methanone Openeye Name: [5-[(2-isopropylimidazol-1-yl)methyl]-1H-pyrazol-3-yl]-[4-(6-methylpyridin-1-ium-2-yl)piperazin-1-yl]methanone CAS Name: [4-(6-methyl-2-pyridin-1-iumyl)-1-piperazinyl]-[5-[(2-propan-2-yl-1-imidazolyl)methyl]-1H-pyrazol-3-yl]methanone IUPAC Name: [4-(6-methylpyridin-1-ium-2-yl)piperazin-1-yl]-[5-[(2-propan-2-ylimidazol-1-yl)methyl]-1H-pyrazol-3-yl]methanone Traditional Name: [5-[(2-isopropylimidazol-1-yl)methyl]-1H-pyrazol-3-yl]-[4-(6-methylpyridin-1-ium-2-yl)piperazino]methanone Formula: C21H28N7O+ MolecularWeight: 394.49332

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[NH+]C(=CC=C1)N2CCN(CC2)C(=O)C3=NNC(=C3)CN4C=CN=C4C(C)C

Isomeric SMILES

CC1=[NH+]C(=CC=C1)N2CCN(CC2)C(=O)C3=NNC(=C3)CN4C=CN=C4C(C)C

InChI

InChI=1S/C21H27N7O/c1-15(2)20-22-7-8-28(20)14-17-13-18(25-24-17)21(29)27-11-9-26(10-12-27)19-6-4-5-16(3)23-19/h4-8,13,15H,9-12,14H2,1-3H3,(H,24,25)/p+1