1-phenethyl-4-thiophen-2-ylsulfonyl-1,4-diazepan-1-ium

Systemtic Name: 1-phenethyl-4-thiophen-2-ylsulfonyl-1,4-diazepan-1-ium Openeye Name: 1-phenethyl-4-(2-thienylsulfonyl)-1,4-diazepan-1-ium CAS Name: 1-phenethyl-4-thiophen-2-ylsulfonyl-1,4-diazepan-1-ium IUPAC Name: 1-phenethyl-4-thiophen-2-ylsulfonyl-1,4-diazepan-1-ium Traditional Name: 1-phenethyl-4-(2-thienylsulfonyl)-1,4-diazepan-1-ium Formula: C17H23N2O2S2+ MolecularWeight: 351.50672

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCN(C1)S(=O)(=O)C2=CC=CS2)CCC3=CC=CC=C3

Isomeric SMILES

C1C[NH+](CCN(C1)S(=O)(=O)C2=CC=CS2)CCC3=CC=CC=C3

InChI

InChI=1S/C17H22N2O2S2/c20-23(21,17-8-4-15-22-17)19-11-5-10-18(13-14-19)12-9-16-6-2-1-3-7-16/h1-4,6-8,15H,5,9-14H2/p+1