2-[1-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)-1-(3-imidazol-1-ylpropyl)piperidin-1-ium-2-yl]ethanamide

Systemtic Name: 2-[1-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)-1-(3-imidazol-1-ylpropyl)piperidin-1-ium-2-yl]ethanamide Openeye Name: 2-[1-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)-1-(3-imidazol-1-ylpropyl)piperidin-1-ium-2-yl]acetamide CAS Name: 2-[1-[2-(1-imidazolyl)-6-methyl-4-pyrimidinyl]-1-[3-(1-imidazolyl)propyl]-2-piperidin-1-iumyl]acetamide IUPAC Name: 2-[1-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)-1-(3-imidazol-1-ylpropyl)piperidin-1-ium-2-yl]acetamide Traditional Name: 2-[1-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)-1-(3-imidazol-1-ylpropyl)piperidin-1-ium-2-yl]acetamide Formula: C21H29N8O+ MolecularWeight: 409.50796

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)N2C=CN=C2)[N+]3(CCCCC3CC(=O)N)CCCN4C=CN=C4

Isomeric SMILES

CC1=CC(=NC(=N1)N2C=CN=C2)[N+]3(CCCCC3CC(=O)N)CCCN4C=CN=C4

InChI

InChI=1S/C21H28N8O/c1-17-13-20(26-21(25-17)28-10-7-24-16-28)29(12-4-8-27-9-6-23-15-27)11-3-2-5-18(29)14-19(22)30/h6-7,9-10,13,15-16,18H,2-5,8,11-12,14H2,1H3,(H-,22,30)/p+1