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

Systemtic Name: 2-[1-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)-1-[(3-methylphenyl)methyl]piperidin-1-ium-2-yl]ethanamide Openeye Name: 2-[1-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)-1-(m-tolylmethyl)piperidin-1-ium-2-yl]acetamide CAS Name: 2-[1-[2-(1-imidazolyl)-6-methyl-4-pyrimidinyl]-1-[(3-methylphenyl)methyl]-2-piperidin-1-iumyl]acetamide IUPAC Name: 2-[1-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)-1-[(3-methylphenyl)methyl]piperidin-1-ium-2-yl]acetamide Traditional Name: 2-[1-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)-1-(3-methylbenzyl)piperidin-1-ium-2-yl]acetamide Formula: C23H29N6O+ MolecularWeight: 405.51596

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)C[N+]2(CCCCC2CC(=O)N)C3=NC(=NC(=C3)C)N4C=CN=C4

Isomeric SMILES

CC1=CC(=CC=C1)C[N+]2(CCCCC2CC(=O)N)C3=NC(=NC(=C3)C)N4C=CN=C4

InChI

InChI=1S/C23H28N6O/c1-17-6-5-7-19(12-17)15-29(11-4-3-8-20(29)14-21(24)30)22-13-18(2)26-23(27-22)28-10-9-25-16-28/h5-7,9-10,12-13,16,20H,3-4,8,11,14-15H2,1-2H3,(H-,24,30)/p+1