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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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