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

Systemtic Name: 2-[1-[2-(4-ethoxyphenyl)ethyl]-1-(2-imidazol-1-ylpyrimidin-4-yl)piperidin-1-ium-2-yl]ethanamide Openeye Name: 2-[1-[2-(4-ethoxyphenyl)ethyl]-1-(2-imidazol-1-ylpyrimidin-4-yl)piperidin-1-ium-2-yl]acetamide CAS Name: 2-[1-[2-(4-ethoxyphenyl)ethyl]-1-[2-(1-imidazolyl)-4-pyrimidinyl]-2-piperidin-1-iumyl]acetamide IUPAC Name: 2-[1-[2-(4-ethoxyphenyl)ethyl]-1-(2-imidazol-1-ylpyrimidin-4-yl)piperidin-1-ium-2-yl]acetamide Traditional Name: 2-[1-(2-imidazol-1-ylpyrimidin-4-yl)-1-(2-p-phenetylethyl)piperidin-1-ium-2-yl]acetamide Formula: C24H31N6O2+ MolecularWeight: 435.54194

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)CC[N+]2(CCCCC2CC(=O)N)C3=NC(=NC=C3)N4C=CN=C4

Isomeric SMILES

CCOC1=CC=C(C=C1)CC[N+]2(CCCCC2CC(=O)N)C3=NC(=NC=C3)N4C=CN=C4

InChI

InChI=1S/C24H30N6O2/c1-2-32-21-8-6-19(7-9-21)11-16-30(15-4-3-5-20(30)17-22(25)31)23-10-12-27-24(28-23)29-14-13-26-18-29/h6-10,12-14,18,20H,2-5,11,15-17H2,1H3,(H-,25,31)/p+1