2-(3,4-dichlorophenyl)-1-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]ethanone

Systemtic Name: 2-(3,4-dichlorophenyl)-1-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]ethanone Openeye Name: 2-(3,4-dichlorophenyl)-1-[4-(4-pyridylmethyl)piperazin-4-ium-1-yl]ethanone CAS Name: 2-(3,4-dichlorophenyl)-1-[4-(pyridin-4-ylmethyl)-1-piperazin-4-iumyl]ethanone IUPAC Name: 2-(3,4-dichlorophenyl)-1-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]ethanone Traditional Name: 2-(3,4-dichlorophenyl)-1-[4-(4-pyridylmethyl)piperazin-4-ium-1-yl]ethanone Formula: C18H20Cl2N3O+ MolecularWeight: 365.2769

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=NC=C2)C(=O)CC3=CC(=C(C=C3)Cl)Cl

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=NC=C2)C(=O)CC3=CC(=C(C=C3)Cl)Cl

InChI

InChI=1S/C18H19Cl2N3O/c19-16-2-1-15(11-17(16)20)12-18(24)23-9-7-22(8-10-23)13-14-3-5-21-6-4-14/h1-6,11H,7-10,12-13H2/p+1