3-(4-methylphenyl)sulfonyl-1-(2-piperidin-1-ium-1-ylethyl)pyrrolo[3,2-b]quinoxalin-2-amine

Systemtic Name: 3-(4-methylphenyl)sulfonyl-1-(2-piperidin-1-ium-1-ylethyl)pyrrolo[3,2-b]quinoxalin-2-amine Openeye Name: 1-(2-piperidin-1-ium-1-ylethyl)-3-(p-tolylsulfonyl)pyrrolo[3,2-b]quinoxalin-2-amine CAS Name: 3-(4-methylphenyl)sulfonyl-1-[2-(1-piperidin-1-iumyl)ethyl]-2-pyrrolo[3,2-b]quinoxalinamine IUPAC Name: 3-(4-methylphenyl)sulfonyl-1-(2-piperidin-1-ium-1-ylethyl)pyrrolo[3,2-b]quinoxalin-2-amine Traditional Name: [1-(2-piperidin-1-ium-1-ylethyl)-3-tosyl-pyrrolo[3,2-b]quinoxalin-2-yl]amine Formula: C24H28N5O2S+ MolecularWeight: 450.57642

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C2=C(N(C3=NC4=CC=CC=C4N=C23)CC[NH+]5CCCCC5)N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C2=C(N(C3=NC4=CC=CC=C4N=C23)CC[NH+]5CCCCC5)N

InChI

InChI=1S/C24H27N5O2S/c1-17-9-11-18(12-10-17)32(30,31)22-21-24(27-20-8-4-3-7-19(20)26-21)29(23(22)25)16-15-28-13-5-2-6-14-28/h3-4,7-12H,2,5-6,13-16,25H2,1H3/p+1