N-[3,5-bis(chloranyl)pyridin-2-yl]-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-[3,5-bis(chloranyl)pyridin-2-yl]-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-(3,5-dichloro-2-pyridyl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetamide CAS Name: N-(3,5-dichloro-2-pyridinyl)-2-[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(3,5-dichloropyridin-2-yl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-(3,5-dichloro-2-pyridyl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetamide Formula: C16H19Cl2N5O+2 MolecularWeight: 368.26096

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=C(C=C(C=N2)Cl)Cl)C3=CC=CC=[NH+]3

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=C(C=C(C=N2)Cl)Cl)C3=CC=CC=[NH+]3

InChI

InChI=1S/C16H17Cl2N5O/c17-12-9-13(18)16(20-10-12)21-15(24)11-22-5-7-23(8-6-22)14-3-1-2-4-19-14/h1-4,9-10H,5-8,11H2,(H,20,21,24)/p+2