N-(5-azanyl-3,4-dihydro-2H-pyrrol-1-ium-1-yl)-4-bromanyl-benzamide

Systemtic Name: N-(5-azanyl-3,4-dihydro-2H-pyrrol-1-ium-1-yl)-4-bromanyl-benzamide Openeye Name: N-(5-amino-3,4-dihydro-2H-pyrrol-1-ium-1-yl)-4-bromo-benzamide CAS Name: N-(5-amino-3,4-dihydro-2H-pyrrol-1-ium-1-yl)-4-bromobenzamide IUPAC Name: N-(5-amino-3,4-dihydro-2H-pyrrol-1-ium-1-yl)-4-bromobenzamide Traditional Name: N-(2-amino-1-pyrrolin-1-ium-1-yl)-4-bromo-benzamide Formula: C11H13BrN3O+ MolecularWeight: 283.14442

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=[N+](C1)NC(=O)C2=CC=C(C=C2)Br)N

Isomeric SMILES

C1CC(=[N+](C1)NC(=O)C2=CC=C(C=C2)Br)N

InChI

InChI=1S/C11H12BrN3O/c12-9-5-3-8(4-6-9)11(16)14-15-7-1-2-10(15)13/h3-6,13H,1-2,7H2,(H,14,16)/p+1