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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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