(2-bromophenyl)-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone

Systemtic Name: (2-bromophenyl)-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone Openeye Name: (2-bromophenyl)-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone CAS Name: (2-bromophenyl)-[4-(2-pyridin-1-iumyl)-1-piperazinyl]methanone IUPAC Name: (2-bromophenyl)-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone Traditional Name: (2-bromophenyl)-(4-pyridin-1-ium-2-ylpiperazino)methanone Formula: C16H17BrN3O+ MolecularWeight: 347.22968

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)C3=CC=CC=C3Br

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)C3=CC=CC=C3Br

InChI

InChI=1S/C16H16BrN3O/c17-14-6-2-1-5-13(14)16(21)20-11-9-19(10-12-20)15-7-3-4-8-18-15/h1-8H,9-12H2/p+1