1-[(3,4-dichlorophenyl)methyl]-5-(4-pyridin-1-ium-2-ylpiperazin-1-yl)carbonyl-pyridin-2-one

Systemtic Name: 1-[(3,4-dichlorophenyl)methyl]-5-(4-pyridin-1-ium-2-ylpiperazin-1-yl)carbonyl-pyridin-2-one Openeye Name: 1-[(3,4-dichlorophenyl)methyl]-5-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)pyridin-2-one CAS Name: 1-[(3,4-dichlorophenyl)methyl]-5-[oxo-[4-(2-pyridin-1-iumyl)-1-piperazinyl]methyl]-2-pyridinone IUPAC Name: 1-[(3,4-dichlorophenyl)methyl]-5-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)pyridin-2-one Traditional Name: 1-(3,4-dichlorobenzyl)-5-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)-2-pyridone Formula: C22H21Cl2N4O2+ MolecularWeight: 444.33374

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)C3=CN(C(=O)C=C3)CC4=CC(=C(C=C4)Cl)Cl

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)C3=CN(C(=O)C=C3)CC4=CC(=C(C=C4)Cl)Cl

InChI

InChI=1S/C22H20Cl2N4O2/c23-18-6-4-16(13-19(18)24)14-28-15-17(5-7-21(28)29)22(30)27-11-9-26(10-12-27)20-3-1-2-8-25-20/h1-8,13,15H,9-12,14H2/p+1