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

Systemtic Name: 2-[1-[2-(3-ethoxy-4-methoxy-phenyl)ethyl]-1-(2-imidazol-1-ylpyrimidin-4-yl)piperidin-1-ium-2-yl]ethanamide Openeye Name: 2-[1-[2-(3-ethoxy-4-methoxy-phenyl)ethyl]-1-(2-imidazol-1-ylpyrimidin-4-yl)piperidin-1-ium-2-yl]acetamide CAS Name: 2-[1-[2-(3-ethoxy-4-methoxyphenyl)ethyl]-1-[2-(1-imidazolyl)-4-pyrimidinyl]-2-piperidin-1-iumyl]acetamide IUPAC Name: 2-[1-[2-(3-ethoxy-4-methoxyphenyl)ethyl]-1-(2-imidazol-1-ylpyrimidin-4-yl)piperidin-1-ium-2-yl]acetamide Traditional Name: 2-[1-[2-(3-ethoxy-4-methoxy-phenyl)ethyl]-1-(2-imidazol-1-ylpyrimidin-4-yl)piperidin-1-ium-2-yl]acetamide Formula: C25H33N6O3+ MolecularWeight: 465.56792

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H32N6O3/c1-3-34-22-16-19(7-8-21(22)33-2)10-15-31(14-5-4-6-20(31)17-23(26)32)24-9-11-28-25(29-24)30-13-12-27-18-30/h7-9,11-13,16,18,20H,3-6,10,14-15,17H2,1-2H3,(H-,26,32)/p+1