[5-[(2-propan-2-ylimidazol-1-yl)methyl]-1H-pyrazol-3-yl]-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone

Systemtic Name: [5-[(2-propan-2-ylimidazol-1-yl)methyl]-1H-pyrazol-3-yl]-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone Openeye Name: [5-[(2-isopropylimidazol-1-yl)methyl]-1H-pyrazol-3-yl]-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone CAS Name: [5-[(2-propan-2-yl-1-imidazolyl)methyl]-1H-pyrazol-3-yl]-[4-(2-pyridin-1-iumyl)-1-piperazinyl]methanone IUPAC Name: [5-[(2-propan-2-ylimidazol-1-yl)methyl]-1H-pyrazol-3-yl]-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone Traditional Name: [5-[(2-isopropylimidazol-1-yl)methyl]-1H-pyrazol-3-yl]-(4-pyridin-1-ium-2-ylpiperazino)methanone Formula: C20H26N7O+ MolecularWeight: 380.46674

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC=CN1CC2=CC(=NN2)C(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

Isomeric SMILES

CC(C)C1=NC=CN1CC2=CC(=NN2)C(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C20H25N7O/c1-15(2)19-22-7-8-27(19)14-16-13-17(24-23-16)20(28)26-11-9-25(10-12-26)18-5-3-4-6-21-18/h3-8,13,15H,9-12,14H2,1-2H3,(H,23,24)/p+1