2-[1-[2-(3-ethoxy-4-methoxy-phenyl)ethyl]-1-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)piperidin-1-ium-2-yl]ethanamide

Systemtic Name: 2-[1-[2-(3-ethoxy-4-methoxy-phenyl)ethyl]-1-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)piperidin-1-ium-2-yl]ethanamide Openeye Name: 2-[1-[2-(3-ethoxy-4-methoxy-phenyl)ethyl]-1-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)piperidin-1-ium-2-yl]acetamide CAS Name: 2-[1-[2-(3-ethoxy-4-methoxyphenyl)ethyl]-1-[2-(1-imidazolyl)-6-methyl-4-pyrimidinyl]-2-piperidin-1-iumyl]acetamide IUPAC Name: 2-[1-[2-(3-ethoxy-4-methoxyphenyl)ethyl]-1-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)piperidin-1-ium-2-yl]acetamide Traditional Name: 2-[1-[2-(3-ethoxy-4-methoxy-phenyl)ethyl]-1-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)piperidin-1-ium-2-yl]acetamide Formula: C26H35N6O3+ MolecularWeight: 479.5945

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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)C)N4C=CN=C4)OC

Isomeric SMILES

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

InChI

InChI=1S/C26H34N6O3/c1-4-35-23-16-20(8-9-22(23)34-3)10-14-32(13-6-5-7-21(32)17-24(27)33)25-15-19(2)29-26(30-25)31-12-11-28-18-31/h8-9,11-12,15-16,18,21H,4-7,10,13-14,17H2,1-3H3,(H-,27,33)/p+1