2-[1-(2-imidazol-1-ylpyrimidin-4-yl)-1-[2-(3-methoxyphenyl)ethyl]piperidin-1-ium-2-yl]ethanamide

Systemtic Name: 2-[1-(2-imidazol-1-ylpyrimidin-4-yl)-1-[2-(3-methoxyphenyl)ethyl]piperidin-1-ium-2-yl]ethanamide Openeye Name: 2-[1-(2-imidazol-1-ylpyrimidin-4-yl)-1-[2-(3-methoxyphenyl)ethyl]piperidin-1-ium-2-yl]acetamide CAS Name: 2-[1-[2-(1-imidazolyl)-4-pyrimidinyl]-1-[2-(3-methoxyphenyl)ethyl]-2-piperidin-1-iumyl]acetamide IUPAC Name: 2-[1-(2-imidazol-1-ylpyrimidin-4-yl)-1-[2-(3-methoxyphenyl)ethyl]piperidin-1-ium-2-yl]acetamide Traditional Name: 2-[1-(2-imidazol-1-ylpyrimidin-4-yl)-1-[2-(3-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(=C1)CC[N+]2(CCCCC2CC(=O)N)C3=NC(=NC=C3)N4C=CN=C4

Isomeric SMILES

COC1=CC=CC(=C1)CC[N+]2(CCCCC2CC(=O)N)C3=NC(=NC=C3)N4C=CN=C4

InChI

InChI=1S/C23H28N6O2/c1-31-20-7-4-5-18(15-20)9-14-29(13-3-2-6-19(29)16-21(24)30)22-8-10-26-23(27-22)28-12-11-25-17-28/h4-5,7-8,10-12,15,17,19H,2-3,6,9,13-14,16H2,1H3,(H-,24,30)/p+1