(4-methylphenyl)sulfonyl-[3-[4-(3-phenylpropyl)pyridin-1-ium-1-yl]quinoxalin-2-yl]azanide

Systemtic Name: (4-methylphenyl)sulfonyl-[3-[4-(3-phenylpropyl)pyridin-1-ium-1-yl]quinoxalin-2-yl]azanide Openeye Name: [3-[4-(3-phenylpropyl)pyridin-1-ium-1-yl]quinoxalin-2-yl]-(p-tolylsulfonyl)azanide CAS Name: (4-methylphenyl)sulfonyl-[3-[4-(3-phenylpropyl)-1-pyridin-1-iumyl]-2-quinoxalinyl]azanide IUPAC Name: (4-methylphenyl)sulfonyl-[3-[4-(3-phenylpropyl)pyridin-1-ium-1-yl]quinoxalin-2-yl]azanide Traditional Name: [3-[4-(3-phenylpropyl)pyridin-1-ium-1-yl]quinoxalin-2-yl]-tosyl-azanide Formula: C29H26N4O2S MolecularWeight: 494.60734

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C29H26N4O2S/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