[3-[4-(3-phenylpropyl)pyridin-1-ium-1-yl]quinoxalin-2-yl]-thiophen-2-ylsulfonyl-azanide

Systemtic Name: [3-[4-(3-phenylpropyl)pyridin-1-ium-1-yl]quinoxalin-2-yl]-thiophen-2-ylsulfonyl-azanide Openeye Name: [3-[4-(3-phenylpropyl)pyridin-1-ium-1-yl]quinoxalin-2-yl]-(2-thienylsulfonyl)azanide CAS Name: [3-[4-(3-phenylpropyl)-1-pyridin-1-iumyl]-2-quinoxalinyl]-thiophen-2-ylsulfonylazanide IUPAC Name: [3-[4-(3-phenylpropyl)pyridin-1-ium-1-yl]quinoxalin-2-yl]-thiophen-2-ylsulfonylazanide Traditional Name: [3-[4-(3-phenylpropyl)pyridin-1-ium-1-yl]quinoxalin-2-yl]-(2-thienylsulfonyl)azanide Formula: C26H22N4O2S2 MolecularWeight: 486.60848

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCC2=CC=[N+](C=C2)C3=NC4=CC=CC=C4N=C3[N-]S(=O)(=O)C5=CC=CS5

Isomeric SMILES

C1=CC=C(C=C1)CCCC2=CC=[N+](C=C2)C3=NC4=CC=CC=C4N=C3[N-]S(=O)(=O)C5=CC=CS5

InChI

InChI=1S/C26H22N4O2S2/c31-34(32,24-14-7-19-33-24)29-25-26(28-23-13-5-4-12-22(23)27-25)30-17-15-21(16-18-30)11-6-10-20-8-2-1-3-9-20/h1-5,7-9,12-19H,6,10-11H2