(5-bromanylthiophen-2-yl)-(1,4-diazepan-4-ium-1-yl)methanone

Systemtic Name: (5-bromanylthiophen-2-yl)-(1,4-diazepan-4-ium-1-yl)methanone Openeye Name: (5-bromo-2-thienyl)-(1,4-diazepan-4-ium-1-yl)methanone CAS Name: (5-bromo-2-thiophenyl)-(1,4-diazepan-4-ium-1-yl)methanone IUPAC Name: (5-bromothiophen-2-yl)-(1,4-diazepan-4-ium-1-yl)methanone Traditional Name: (5-bromo-2-thienyl)-(1,4-diazepan-4-ium-1-yl)methanone Formula: C10H14BrN2OS+ MolecularWeight: 290.19996

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH2+]CCN(C1)C(=O)C2=CC=C(S2)Br

Isomeric SMILES

C1C[NH2+]CCN(C1)C(=O)C2=CC=C(S2)Br

InChI

InChI=1S/C10H13BrN2OS/c11-9-3-2-8(15-9)10(14)13-6-1-4-12-5-7-13/h2-3,12H,1,4-7H2/p+1