1-[2,5-bis(chloranyl)thiophen-3-yl]sulfonyl-4-phenethyl-1,4-diazepan-4-ium

Systemtic Name: 1-[2,5-bis(chloranyl)thiophen-3-yl]sulfonyl-4-phenethyl-1,4-diazepan-4-ium Openeye Name: 1-[(2,5-dichloro-3-thienyl)sulfonyl]-4-phenethyl-1,4-diazepan-4-ium CAS Name: 1-[(2,5-dichloro-3-thiophenyl)sulfonyl]-4-phenethyl-1,4-diazepan-4-ium IUPAC Name: 1-(2,5-dichlorothiophen-3-yl)sulfonyl-4-phenethyl-1,4-diazepan-4-ium Traditional Name: 1-[(2,5-dichloro-3-thienyl)sulfonyl]-4-phenethyl-1,4-diazepan-4-ium Formula: C17H21Cl2N2O2S2+ MolecularWeight: 420.39684

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCN(C1)S(=O)(=O)C2=C(SC(=C2)Cl)Cl)CCC3=CC=CC=C3

Isomeric SMILES

C1C[NH+](CCN(C1)S(=O)(=O)C2=C(SC(=C2)Cl)Cl)CCC3=CC=CC=C3

InChI

InChI=1S/C17H20Cl2N2O2S2/c18-16-13-15(17(19)24-16)25(22,23)21-9-4-8-20(11-12-21)10-7-14-5-2-1-3-6-14/h1-3,5-6,13H,4,7-12H2/p+1