1-(4,6-dimethylpyrimidin-2-yl)-1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-1-ium-3-carboxamide

Systemtic Name: 1-(4,6-dimethylpyrimidin-2-yl)-1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-1-ium-3-carboxamide Openeye Name: 1-(4,6-dimethylpyrimidin-2-yl)-1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-1-ium-3-carboxamide CAS Name: 1-(4,6-dimethyl-2-pyrimidinyl)-1-[(1-methyl-2-benzimidazolyl)methyl]-3-piperidin-1-iumcarboxamide IUPAC Name: 1-(4,6-dimethylpyrimidin-2-yl)-1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-1-ium-3-carboxamide Traditional Name: 1-(4,6-dimethylpyrimidin-2-yl)-1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-1-ium-3-carboxamide Formula: C21H27N6O+ MolecularWeight: 379.47868

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)[N+]2(CCCC(C2)C(=O)N)CC3=NC4=CC=CC=C4N3C)C

Isomeric SMILES

CC1=CC(=NC(=N1)[N+]2(CCCC(C2)C(=O)N)CC3=NC4=CC=CC=C4N3C)C

InChI

InChI=1S/C21H26N6O/c1-14-11-15(2)24-21(23-14)27(10-6-7-16(12-27)20(22)28)13-19-25-17-8-4-5-9-18(17)26(19)3/h4-5,8-9,11,16H,6-7,10,12-13H2,1-3H3,(H-,22,28)/p+1