methanesulfonic acid; 1-(4-methoxy-2-methyl-phenyl)-6-methyl-3,7-dihydro-2H-pyrrolo[2,3-b]pyridin-4-one

Systemtic Name: methanesulfonic acid; 1-(4-methoxy-2-methyl-phenyl)-6-methyl-3,7-dihydro-2H-pyrrolo[2,3-b]pyridin-4-one Openeye Name: methanesulfonic acid; 1-(4-methoxy-2-methyl-phenyl)-6-methyl-3,7-dihydro-2H-pyrrolo[2,3-b]pyridin-4-one CAS Name: methanesulfonic acid; 1-(4-methoxy-2-methylphenyl)-6-methyl-3,7-dihydro-2H-pyrrolo[2,3-b]pyridin-4-one IUPAC Name: methanesulfonic acid; 1-(4-methoxy-2-methylphenyl)-6-methyl-3,7-dihydro-2H-pyrrolo[2,3-b]pyridin-4-one Traditional Name: mesylic acid; 1-(4-methoxy-2-methyl-phenyl)-6-methyl-3,7-dihydro-2H-pyrrolo[2,3-b]pyridin-4-one Formula: C17H22N2O5S MolecularWeight: 366.43198

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)C2=C(N1)N(CC2)C3=C(C=C(C=C3)OC)C.CS(=O)(=O)O

Isomeric SMILES

CC1=CC(=O)C2=C(N1)N(CC2)C3=C(C=C(C=C3)OC)C.CS(=O)(=O)O

InChI

InChI=1S/C16H18N2O2.CH4O3S/c1-10-8-12(20-3)4-5-14(10)18-7-6-13-15(19)9-11(2)17-16(13)18;1-5(2,3)4/h4-5,8-9H,6-7H2,1-3H3,(H,17,19);1H3,(H,2,3,4)