3-(azocan-1-ium-1-ylmethyl)-N,N-dimethyl-2-sulfanylidene-1,3-benzoxazole-5-sulfonamide

Systemtic Name: 3-(azocan-1-ium-1-ylmethyl)-N,N-dimethyl-2-sulfanylidene-1,3-benzoxazole-5-sulfonamide Openeye Name: 3-(azocan-1-ium-1-ylmethyl)-N,N-dimethyl-2-thioxo-1,3-benzoxazole-5-sulfonamide CAS Name: 3-(1-azocan-1-iumylmethyl)-N,N-dimethyl-2-sulfanylidene-1,3-benzoxazole-5-sulfonamide IUPAC Name: 3-(azocan-1-ium-1-ylmethyl)-N,N-dimethyl-2-sulfanylidene-1,3-benzoxazole-5-sulfonamide Traditional Name: 3-(azocan-1-ium-1-ylmethyl)-N,N-dimethyl-2-thioxo-1,3-benzoxazole-5-sulfonamide Formula: C17H26N3O3S2+ MolecularWeight: 384.53664

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)C1=CC2=C(C=C1)OC(=S)N2C[NH+]3CCCCCCC3

Isomeric SMILES

CN(C)S(=O)(=O)C1=CC2=C(C=C1)OC(=S)N2C[NH+]3CCCCCCC3

InChI

InChI=1S/C17H25N3O3S2/c1-18(2)25(21,22)14-8-9-16-15(12-14)20(17(24)23-16)13-19-10-6-4-3-5-7-11-19/h8-9,12H,3-7,10-11,13H2,1-2H3/p+1