(4aS,11aR)-5-(4-methylphenyl)sulfonyl-6-pyridin-2-yl-2,3,4,4a,6,11a-hexahydro-1H-pyrido[1,2-a]quinoxalin-11-ium; methanesulfonate

Systemtic Name: (4aS,11aR)-5-(4-methylphenyl)sulfonyl-6-pyridin-2-yl-2,3,4,4a,6,11a-hexahydro-1H-pyrido[1,2-a]quinoxalin-11-ium; methanesulfonate Openeye Name: (4aS,11aR)-5-(p-tolylsulfonyl)-6-(2-pyridyl)-2,3,4,4a,6,11a-hexahydro-1H-pyrido[1,2-a]quinoxalin-11-ium; methanesulfonate CAS Name: (4aS,11aR)-5-(4-methylphenyl)sulfonyl-6-(2-pyridinyl)-2,3,4,4a,6,11a-hexahydro-1H-pyrido[1,2-a]quinoxalin-11-ium; methanesulfonate IUPAC Name: (4aS,11aR)-5-(4-methylphenyl)sulfonyl-6-pyridin-2-yl-2,3,4,4a,6,11a-hexahydro-1H-pyrido[1,2-a]quinoxalin-11-ium; methanesulfonate Traditional Name: (4aS,11aR)-6-(2-pyridyl)-5-tosyl-2,3,4,4a,6,11a-hexahydro-1H-pyrido[1,2-a]quinoxalin-11-ium mesylate Formula: C25H29N3O5S2 MolecularWeight: 515.64486

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C3CCCCC3[N+]4=CC=CC=C4C2C5=CC=CC=N5.CS(=O)(=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2[C@H]3CCCC[C@H]3[N+]4=CC=CC=C4C2C5=CC=CC=N5.CS(=O)(=O)[O-]

InChI

InChI=1S/C24H26N3O2S.CH4O3S/c1-18-12-14-19(15-13-18)30(28,29)27-22-10-3-2-9-21(22)26-17-7-5-11-23(26)24(27)20-8-4-6-16-25-20;1-5(2,3)4/h4-8,11-17,21-22,24H,2-3,9-10H2,1H3;1H3,(H,2,3,4)/q+1;/p-1/t21-,22+,24?;/m1./s1