[4-[(2,4-dichlorophenyl)methyl]piperazin-4-ium-1-yl]-pyridin-4-yl-methanone

Systemtic Name: [4-[(2,4-dichlorophenyl)methyl]piperazin-4-ium-1-yl]-pyridin-4-yl-methanone Openeye Name: [4-[(2,4-dichlorophenyl)methyl]piperazin-4-ium-1-yl]-(4-pyridyl)methanone CAS Name: [4-[(2,4-dichlorophenyl)methyl]-1-piperazin-4-iumyl]-pyridin-4-ylmethanone IUPAC Name: [4-[(2,4-dichlorophenyl)methyl]piperazin-4-ium-1-yl]-pyridin-4-ylmethanone Traditional Name: [4-(2,4-dichlorobenzyl)piperazin-4-ium-1-yl]-(4-pyridyl)methanone Formula: C17H18Cl2N3O+ MolecularWeight: 351.25032

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17Cl2N3O/c18-15-2-1-14(16(19)11-15)12-21-7-9-22(10-8-21)17(23)13-3-5-20-6-4-13/h1-6,11H,7-10,12H2/p+1