N-(4-chloranyl-2,5-dimethoxy-phenyl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-(4-chloranyl-2,5-dimethoxy-phenyl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-(4-chloro-2,5-dimethoxy-phenyl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetamide CAS Name: N-(4-chloro-2,5-dimethoxyphenyl)-2-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(4-chloro-2,5-dimethoxyphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-(4-chloro-2,5-dimethoxy-phenyl)-2-[4-(2-pyrimidyl)piperazin-1-ium-1-yl]acetamide Formula: C18H23ClN5O3+ MolecularWeight: 392.85992

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1NC(=O)C[NH+]2CCN(CC2)C3=NC=CC=N3)OC)Cl

Isomeric SMILES

COC1=CC(=C(C=C1NC(=O)C[NH+]2CCN(CC2)C3=NC=CC=N3)OC)Cl

InChI

InChI=1S/C18H22ClN5O3/c1-26-15-11-14(16(27-2)10-13(15)19)22-17(25)12-23-6-8-24(9-7-23)18-20-4-3-5-21-18/h3-5,10-11H,6-9,12H2,1-2H3,(H,22,25)/p+1