(4-bromanyl-1H-pyrrol-2-yl)-piperazin-4-ium-1-yl-methanone

Systemtic Name: (4-bromanyl-1H-pyrrol-2-yl)-piperazin-4-ium-1-yl-methanone Openeye Name: (4-bromo-1H-pyrrol-2-yl)-piperazin-4-ium-1-yl-methanone CAS Name: (4-bromo-1H-pyrrol-2-yl)-(1-piperazin-4-iumyl)methanone IUPAC Name: (4-bromo-1H-pyrrol-2-yl)-piperazin-4-ium-1-ylmethanone Traditional Name: (4-bromo-1H-pyrrol-2-yl)-piperazin-4-ium-1-yl-methanone Formula: C9H13BrN3O+ MolecularWeight: 259.12302

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH2+]1)C(=O)C2=CC(=CN2)Br

Isomeric SMILES

C1CN(CC[NH2+]1)C(=O)C2=CC(=CN2)Br

InChI

InChI=1S/C9H12BrN3O/c10-7-5-8(12-6-7)9(14)13-3-1-11-2-4-13/h5-6,11-12H,1-4H2/p+1