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

Systemtic Name: [4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]-pyridin-3-yl-methanone Openeye Name: [4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]-(3-pyridyl)methanone CAS Name: [4-[(4-chlorophenyl)methyl]-1-piperazin-4-iumyl]-(3-pyridinyl)methanone IUPAC Name: [4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]-pyridin-3-ylmethanone Traditional Name: [4-(4-chlorobenzyl)piperazin-4-ium-1-yl]-(3-pyridyl)methanone Formula: C17H19ClN3O+ MolecularWeight: 316.80526

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18ClN3O/c18-16-5-3-14(4-6-16)13-20-8-10-21(11-9-20)17(22)15-2-1-7-19-12-15/h1-7,12H,8-11,13H2/p+1