2-[1-(2-imidazol-1-ylpyrimidin-4-yl)-1-[2-(4-methylphenyl)ethyl]piperidin-1-ium-2-yl]ethanamide

Systemtic Name: 2-[1-(2-imidazol-1-ylpyrimidin-4-yl)-1-[2-(4-methylphenyl)ethyl]piperidin-1-ium-2-yl]ethanamide Openeye Name: 2-[1-(2-imidazol-1-ylpyrimidin-4-yl)-1-[2-(p-tolyl)ethyl]piperidin-1-ium-2-yl]acetamide CAS Name: 2-[1-[2-(1-imidazolyl)-4-pyrimidinyl]-1-[2-(4-methylphenyl)ethyl]-2-piperidin-1-iumyl]acetamide IUPAC Name: 2-[1-(2-imidazol-1-ylpyrimidin-4-yl)-1-[2-(4-methylphenyl)ethyl]piperidin-1-ium-2-yl]acetamide Traditional Name: 2-[1-(2-imidazol-1-ylpyrimidin-4-yl)-1-[2-(p-tolyl)ethyl]piperidin-1-ium-2-yl]acetamide Formula: C23H29N6O+ MolecularWeight: 405.51596

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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