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

Systemtic Name: N-(4-chloranyl-2,5-dimethoxy-phenyl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-(4-chloro-2,5-dimethoxy-phenyl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetamide CAS Name: N-(4-chloro-2,5-dimethoxyphenyl)-2-[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(4-chloro-2,5-dimethoxyphenyl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-(4-chloro-2,5-dimethoxy-phenyl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetamide Formula: C19H25ClN4O3+2 MolecularWeight: 392.8798

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1NC(=O)C[NH+]2CCN(CC2)C3=CC=CC=[NH+]3)OC)Cl

Isomeric SMILES

COC1=CC(=C(C=C1NC(=O)C[NH+]2CCN(CC2)C3=CC=CC=[NH+]3)OC)Cl

InChI

InChI=1S/C19H23ClN4O3/c1-26-16-12-15(17(27-2)11-14(16)20)22-19(25)13-23-7-9-24(10-8-23)18-5-3-4-6-21-18/h3-6,11-12H,7-10,13H2,1-2H3,(H,22,25)/p+2