4-[2-azanyl-3-(4-methylphenyl)sulfonyl-pyrrolo[3,2-b]quinoxalin-1-yl]butylazanium

Systemtic Name: 4-[2-azanyl-3-(4-methylphenyl)sulfonyl-pyrrolo[3,2-b]quinoxalin-1-yl]butylazanium Openeye Name: 4-[2-amino-3-(p-tolylsulfonyl)pyrrolo[3,2-b]quinoxalin-1-yl]butylammonium CAS Name: 4-[2-amino-3-(4-methylphenyl)sulfonyl-1-pyrrolo[3,2-b]quinoxalinyl]butylammonium IUPAC Name: 4-[2-amino-3-(4-methylphenyl)sulfonylpyrrolo[3,2-b]quinoxalin-1-yl]butylazanium Traditional Name: 4-(2-amino-3-tosyl-pyrrolo[3,2-b]quinoxalin-1-yl)butylammonium Formula: C21H24N5O2S+ MolecularWeight: 410.51256

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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)CCCC[NH3+])N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C2=C(N(C3=NC4=CC=CC=C4N=C23)CCCC[NH3+])N

InChI

InChI=1S/C21H23N5O2S/c1-14-8-10-15(11-9-14)29(27,28)19-18-21(26(20(19)23)13-5-4-12-22)25-17-7-3-2-6-16(17)24-18/h2-3,6-11H,4-5,12-13,22-23H2,1H3/p+1