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

Systemtic Name: [4-(6-methylpyridin-1-ium-2-yl)piperazin-1-yl]-[5-[(2-propan-2-yl-1H-imidazol-3-ium-3-yl)methyl]-1H-pyrazol-3-yl]methanone Openeye Name: [5-[(2-isopropyl-1H-imidazol-3-ium-3-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-1H-imidazol-3-ium-3-yl)methyl]-1H-pyrazol-3-yl]methanone IUPAC Name: [4-(6-methylpyridin-1-ium-2-yl)piperazin-1-yl]-[5-[(2-propan-2-yl-1H-imidazol-3-ium-3-yl)methyl]-1H-pyrazol-3-yl]methanone Traditional Name: [5-[(2-isopropyl-1H-imidazol-3-ium-3-yl)methyl]-1H-pyrazol-3-yl]-[4-(6-methylpyridin-1-ium-2-yl)piperazino]methanone Formula: C21H29N7O+2 MolecularWeight: 395.50126

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[NH+]C(=CC=C1)N2CCN(CC2)C(=O)C3=NNC(=C3)C[N+]4=C(NC=C4)C(C)C

Isomeric SMILES

CC1=[NH+]C(=CC=C1)N2CCN(CC2)C(=O)C3=NNC(=C3)C[N+]4=C(NC=C4)C(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,24,25,29)/p+2