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

Systemtic Name: 2-[1-(2-imidazol-1-ylpyrimidin-4-yl)-1-[2-(2-methoxyphenyl)ethyl]piperidin-1-ium-2-yl]ethanamide Openeye Name: 2-[1-(2-imidazol-1-ylpyrimidin-4-yl)-1-[2-(2-methoxyphenyl)ethyl]piperidin-1-ium-2-yl]acetamide CAS Name: 2-[1-[2-(1-imidazolyl)-4-pyrimidinyl]-1-[2-(2-methoxyphenyl)ethyl]-2-piperidin-1-iumyl]acetamide IUPAC Name: 2-[1-(2-imidazol-1-ylpyrimidin-4-yl)-1-[2-(2-methoxyphenyl)ethyl]piperidin-1-ium-2-yl]acetamide Traditional Name: 2-[1-(2-imidazol-1-ylpyrimidin-4-yl)-1-[2-(2-methoxyphenyl)ethyl]piperidin-1-ium-2-yl]acetamide Formula: C23H29N6O2+ MolecularWeight: 421.51536

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1CC[N+]2(CCCCC2CC(=O)N)C3=NC(=NC=C3)N4C=CN=C4

Isomeric SMILES

COC1=CC=CC=C1CC[N+]2(CCCCC2CC(=O)N)C3=NC(=NC=C3)N4C=CN=C4

InChI

InChI=1S/C23H28N6O2/c1-31-20-8-3-2-6-18(20)10-15-29(14-5-4-7-19(29)16-21(24)30)22-9-11-26-23(27-22)28-13-12-25-17-28/h2-3,6,8-9,11-13,17,19H,4-5,7,10,14-16H2,1H3,(H-,24,30)/p+1