[4-[(3,4-dichlorophenyl)methyl]piperazin-4-ium-1-yl]-pyridin-3-yl-methanone

Systemtic Name: [4-[(3,4-dichlorophenyl)methyl]piperazin-4-ium-1-yl]-pyridin-3-yl-methanone Openeye Name: [4-[(3,4-dichlorophenyl)methyl]piperazin-4-ium-1-yl]-(3-pyridyl)methanone CAS Name: [4-[(3,4-dichlorophenyl)methyl]-1-piperazin-4-iumyl]-(3-pyridinyl)methanone IUPAC Name: [4-[(3,4-dichlorophenyl)methyl]piperazin-4-ium-1-yl]-pyridin-3-ylmethanone Traditional Name: [4-(3,4-dichlorobenzyl)piperazin-4-ium-1-yl]-(3-pyridyl)methanone Formula: C17H18Cl2N3O+ MolecularWeight: 351.25032

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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