[4-[(2-bromophenyl)methyl]piperazin-4-ium-1-yl]-pyridin-3-yl-methanone

Systemtic Name: [4-[(2-bromophenyl)methyl]piperazin-4-ium-1-yl]-pyridin-3-yl-methanone Openeye Name: [4-[(2-bromophenyl)methyl]piperazin-4-ium-1-yl]-(3-pyridyl)methanone CAS Name: [4-[(2-bromophenyl)methyl]-1-piperazin-4-iumyl]-(3-pyridinyl)methanone IUPAC Name: [4-[(2-bromophenyl)methyl]piperazin-4-ium-1-yl]-pyridin-3-ylmethanone Traditional Name: [4-(2-bromobenzyl)piperazin-4-ium-1-yl]-(3-pyridyl)methanone Formula: C17H19BrN3O+ MolecularWeight: 361.25626

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2Br)C(=O)C3=CN=CC=C3

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2Br)C(=O)C3=CN=CC=C3

InChI

InChI=1S/C17H18BrN3O/c18-16-6-2-1-4-15(16)13-20-8-10-21(11-9-20)17(22)14-5-3-7-19-12-14/h1-7,12H,8-11,13H2/p+1