N-[2,6-bis(chloranyl)-3-methyl-phenyl]-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-[2,6-bis(chloranyl)-3-methyl-phenyl]-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-(2,6-dichloro-3-methyl-phenyl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetamide CAS Name: N-(2,6-dichloro-3-methylphenyl)-2-[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2,6-dichloro-3-methylphenyl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-(2,6-dichloro-3-methyl-phenyl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetamide Formula: C18H22Cl2N4O+2 MolecularWeight: 381.29948

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)Cl)NC(=O)C[NH+]2CCN(CC2)C3=CC=CC=[NH+]3)Cl

Isomeric SMILES

CC1=C(C(=C(C=C1)Cl)NC(=O)C[NH+]2CCN(CC2)C3=CC=CC=[NH+]3)Cl

InChI

InChI=1S/C18H20Cl2N4O/c1-13-5-6-14(19)18(17(13)20)22-16(25)12-23-8-10-24(11-9-23)15-4-2-3-7-21-15/h2-7H,8-12H2,1H3,(H,22,25)/p+2