N-[3-[4-(3-phenylpropyl)pyridin-1-ium-1-yl]quinoxalin-2-yl]thiophene-2-sulfonamide

Systemtic Name: N-[3-[4-(3-phenylpropyl)pyridin-1-ium-1-yl]quinoxalin-2-yl]thiophene-2-sulfonamide Openeye Name: N-[3-[4-(3-phenylpropyl)pyridin-1-ium-1-yl]quinoxalin-2-yl]thiophene-2-sulfonamide CAS Name: N-[3-[4-(3-phenylpropyl)-1-pyridin-1-iumyl]-2-quinoxalinyl]-2-thiophenesulfonamide IUPAC Name: N-[3-[4-(3-phenylpropyl)pyridin-1-ium-1-yl]quinoxalin-2-yl]thiophene-2-sulfonamide Traditional Name: N-[3-[4-(3-phenylpropyl)pyridin-1-ium-1-yl]quinoxalin-2-yl]thiophene-2-sulfonamide Formula: C26H23N4O2S2+ MolecularWeight: 487.61642

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCC2=CC=[N+](C=C2)C3=NC4=CC=CC=C4N=C3NS(=O)(=O)C5=CC=CS5

Isomeric SMILES

C1=CC=C(C=C1)CCCC2=CC=[N+](C=C2)C3=NC4=CC=CC=C4N=C3NS(=O)(=O)C5=CC=CS5

InChI

InChI=1S/C26H23N4O2S2/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,(H,27,29)/q+1