2-[1-[2-(3-ethoxy-4-methoxy-phenyl)ethyl]-1-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)piperazin-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)piperazin-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)piperazin-1-ium-2-yl]acetamide CAS Name: 2-[1-[2-(3-ethoxy-4-methoxyphenyl)ethyl]-1-[2-(1-imidazolyl)-6-methyl-4-pyrimidinyl]-2-piperazin-1-iumyl]acetamide IUPAC Name: 2-[1-[2-(3-ethoxy-4-methoxyphenyl)ethyl]-1-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)piperazin-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)piperazin-1-ium-2-yl]acetamide Formula: C25H34N7O3+ MolecularWeight: 480.58256

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)CC[N+]2(CCNCC2CC(=O)N)C3=NC(=NC(=C3)C)N4C=CN=C4)OC

Isomeric SMILES

CCOC1=C(C=CC(=C1)CC[N+]2(CCNCC2CC(=O)N)C3=NC(=NC(=C3)C)N4C=CN=C4)OC

InChI

InChI=1S/C25H33N7O3/c1-4-35-22-14-19(5-6-21(22)34-3)7-11-32(12-9-27-16-20(32)15-23(26)33)24-13-18(2)29-25(30-24)31-10-8-28-17-31/h5-6,8,10,13-14,17,20,27H,4,7,9,11-12,15-16H2,1-3H3,(H-,26,33)/p+1