4-methyl-N-[3-[4-(3-phenylpropyl)pyridin-1-ium-1-yl]quinoxalin-2-yl]benzenesulfonamide

Systemtic Name: 4-methyl-N-[3-[4-(3-phenylpropyl)pyridin-1-ium-1-yl]quinoxalin-2-yl]benzenesulfonamide Openeye Name: 4-methyl-N-[3-[4-(3-phenylpropyl)pyridin-1-ium-1-yl]quinoxalin-2-yl]benzenesulfonamide CAS Name: 4-methyl-N-[3-[4-(3-phenylpropyl)-1-pyridin-1-iumyl]-2-quinoxalinyl]benzenesulfonamide IUPAC Name: 4-methyl-N-[3-[4-(3-phenylpropyl)pyridin-1-ium-1-yl]quinoxalin-2-yl]benzenesulfonamide Traditional Name: 4-methyl-N-[3-[4-(3-phenylpropyl)pyridin-1-ium-1-yl]quinoxalin-2-yl]benzenesulfonamide Formula: C29H27N4O2S+ MolecularWeight: 495.61528

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC2=NC3=CC=CC=C3N=C2[N+]4=CC=C(C=C4)CCCC5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC2=NC3=CC=CC=C3N=C2[N+]4=CC=C(C=C4)CCCC5=CC=CC=C5

InChI

InChI=1S/C29H27N4O2S/c1-22-14-16-25(17-15-22)36(34,35)32-28-29(31-27-13-6-5-12-26(27)30-28)33-20-18-24(19-21-33)11-7-10-23-8-3-2-4-9-23/h2-6,8-9,12-21H,7,10-11H2,1H3,(H,30,32)/q+1