N-(3-chlorophenyl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-(3-chlorophenyl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-(3-chlorophenyl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetamide CAS Name: N-(3-chlorophenyl)-2-[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(3-chlorophenyl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-(3-chlorophenyl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetamide Formula: C17H21ClN4O+2 MolecularWeight: 332.82784

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=CC(=CC=C2)Cl)C3=CC=CC=[NH+]3

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=CC(=CC=C2)Cl)C3=CC=CC=[NH+]3

InChI

InChI=1S/C17H19ClN4O/c18-14-4-3-5-15(12-14)20-17(23)13-21-8-10-22(11-9-21)16-6-1-2-7-19-16/h1-7,12H,8-11,13H2,(H,20,23)/p+2