benzenesulfonic acid; N-benzo[g]quinoxalin-3-yl-N',N'-dimethyl-propane-1,3-diamine

Systemtic Name: benzenesulfonic acid; N-benzo[g]quinoxalin-3-yl-N',N'-dimethyl-propane-1,3-diamine Openeye Name: benzenesulfonic acid; N-benzo[g]quinoxalin-3-yl-N',N'-dimethyl-propane-1,3-diamine CAS Name: benzenesulfonic acid; N-(3-benzo[g]quinoxalinyl)-N',N'-dimethylpropane-1,3-diamine IUPAC Name: benzenesulfonic acid; N-benzo[g]quinoxalin-3-yl-N',N'-dimethylpropane-1,3-diamine Traditional Name: 3-(benzo[g]quinoxalin-3-ylamino)propyl-dimethyl-amine; besylic acid Formula: C23H26N4O3S MolecularWeight: 438.54254

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCCNC1=NC2=CC3=CC=CC=C3C=C2N=C1.C1=CC=C(C=C1)S(=O)(=O)O

Isomeric SMILES

CN(C)CCCNC1=NC2=CC3=CC=CC=C3C=C2N=C1.C1=CC=C(C=C1)S(=O)(=O)O

InChI

InChI=1S/C17H20N4.C6H6O3S/c1-21(2)9-5-8-18-17-12-19-15-10-13-6-3-4-7-14(13)11-16(15)20-17;7-10(8,9)6-4-2-1-3-5-6/h3-4,6-7,10-12H,5,8-9H2,1-2H3,(H,18,20);1-5H,(H,7,8,9)