methanesulfonic acid; 1-methyl-8-octoxy-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole; hydrate

Systemtic Name: methanesulfonic acid; 1-methyl-8-octoxy-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole; hydrate Openeye Name: methanesulfonic acid; 1-methyl-8-octoxy-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole; hydrate CAS Name: methanesulfonic acid; 1-methyl-8-octoxy-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole; hydrate IUPAC Name: methanesulfonic acid; 1-methyl-8-octoxy-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole; hydrate Traditional Name: mesylic acid; 1-methyl-8-octoxy-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole; hydrate Formula: C20H35N3O5S MolecularWeight: 429.574

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC2=C(C=C1)N3CCCN(C3=N2)C.CS(=O)(=O)O.O

Isomeric SMILES

CCCCCCCCOC1=CC2=C(C=C1)N3CCCN(C3=N2)C.CS(=O)(=O)O.O

InChI

InChI=1S/C19H29N3O.CH4O3S.H2O/c1-3-4-5-6-7-8-14-23-16-10-11-18-17(15-16)20-19-21(2)12-9-13-22(18)19;1-5(2,3)4;/h10-11,15H,3-9,12-14H2,1-2H3;1H3,(H,2,3,4);1H2