2-[4-(5-chloranylthiophen-2-yl)sulfonyl-1,4-diazepan-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone

Systemtic Name: 2-[4-(5-chloranylthiophen-2-yl)sulfonyl-1,4-diazepan-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[4-[(5-chloro-2-thienyl)sulfonyl]-1,4-diazepan-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[4-[(5-chloro-2-thiophenyl)sulfonyl]-1,4-diazepan-1-ium-1-yl]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[4-(5-chlorothiophen-2-yl)sulfonyl-1,4-diazepan-1-ium-1-yl]-1-pyrrolidin-1-ylethanone Traditional Name: 2-[4-[(5-chloro-2-thienyl)sulfonyl]-1,4-diazepan-1-ium-1-yl]-1-pyrrolidino-ethanone Formula: C15H23ClN3O3S2+ MolecularWeight: 392.94442

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C[NH+]2CCCN(CC2)S(=O)(=O)C3=CC=C(S3)Cl

Isomeric SMILES

C1CCN(C1)C(=O)C[NH+]2CCCN(CC2)S(=O)(=O)C3=CC=C(S3)Cl

InChI

InChI=1S/C15H22ClN3O3S2/c16-13-4-5-15(23-13)24(21,22)19-9-3-6-17(10-11-19)12-14(20)18-7-1-2-8-18/h4-5H,1-3,6-12H2/p+1