N-[2-(2,4-dichlorophenyl)ethyl]-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-[2-(2,4-dichlorophenyl)ethyl]-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-[2-(2,4-dichlorophenyl)ethyl]-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetamide CAS Name: N-[2-(2,4-dichlorophenyl)ethyl]-2-[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-[2-(2,4-dichlorophenyl)ethyl]-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-[2-(2,4-dichlorophenyl)ethyl]-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetamide Formula: C19H24Cl2N4O+2 MolecularWeight: 395.32606

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NCCC2=C(C=C(C=C2)Cl)Cl)C3=CC=CC=[NH+]3

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NCCC2=C(C=C(C=C2)Cl)Cl)C3=CC=CC=[NH+]3

InChI

InChI=1S/C19H22Cl2N4O/c20-16-5-4-15(17(21)13-16)6-8-23-19(26)14-24-9-11-25(12-10-24)18-3-1-2-7-22-18/h1-5,7,13H,6,8-12,14H2,(H,23,26)/p+2