1-(5-chloranylthiophen-2-yl)sulfonyl-1,4-diazepan-4-ium

Systemtic Name: 1-(5-chloranylthiophen-2-yl)sulfonyl-1,4-diazepan-4-ium Openeye Name: 1-[(5-chloro-2-thienyl)sulfonyl]-1,4-diazepan-4-ium CAS Name: 1-[(5-chloro-2-thiophenyl)sulfonyl]-1,4-diazepan-4-ium IUPAC Name: 1-(5-chlorothiophen-2-yl)sulfonyl-1,4-diazepan-4-ium Traditional Name: 1-[(5-chloro-2-thienyl)sulfonyl]-1,4-diazepan-4-ium Formula: C9H14ClN2O2S2+ MolecularWeight: 281.80266

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H13ClN2O2S2/c10-8-2-3-9(15-8)16(13,14)12-6-1-4-11-5-7-12/h2-3,11H,1,4-7H2/p+1