N-[3,5-bis(chloranyl)-4-methyl-2-oxidanyl-phenyl]-2-(1-methylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-[3,5-bis(chloranyl)-4-methyl-2-oxidanyl-phenyl]-2-(1-methylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-(3,5-dichloro-2-hydroxy-4-methyl-phenyl)-2-(1-methylpiperazin-1-ium-1-yl)acetamide CAS Name: N-(3,5-dichloro-2-hydroxy-4-methylphenyl)-2-(1-methyl-1-piperazin-1-iumyl)acetamide IUPAC Name: N-(3,5-dichloro-2-hydroxy-4-methylphenyl)-2-(1-methylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-(3,5-dichloro-2-hydroxy-4-methyl-phenyl)-2-(1-methylpiperazin-1-ium-1-yl)acetamide Formula: C14H20Cl2N3O2+ MolecularWeight: 333.2335

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=C1Cl)O)NC(=O)C[N+]2(CCNCC2)C)Cl

Isomeric SMILES

CC1=C(C=C(C(=C1Cl)O)NC(=O)C[N+]2(CCNCC2)C)Cl

InChI

InChI=1S/C14H19Cl2N3O2/c1-9-10(15)7-11(14(21)13(9)16)18-12(20)8-19(2)5-3-17-4-6-19/h7,17H,3-6,8H2,1-2H3,(H-,18,20,21)/p+1