6-(1,3-benzothiazol-2-yl)-8-methoxy-3-[[(2R)-oxolan-2-yl]methyl]-3,4-dihydro-2H-1,3-benzoxazin-3-ium

Systemtic Name: 6-(1,3-benzothiazol-2-yl)-8-methoxy-3-[[(2R)-oxolan-2-yl]methyl]-3,4-dihydro-2H-1,3-benzoxazin-3-ium Openeye Name: 6-(1,3-benzothiazol-2-yl)-8-methoxy-3-[[(2R)-tetrahydrofuran-2-yl]methyl]-3,4-dihydro-2H-1,3-benzoxazin-3-ium CAS Name: 6-(1,3-benzothiazol-2-yl)-8-methoxy-3-[[(2R)-2-oxolanyl]methyl]-3,4-dihydro-2H-1,3-benzoxazin-3-ium IUPAC Name: 6-(1,3-benzothiazol-2-yl)-8-methoxy-3-[[(2R)-oxolan-2-yl]methyl]-3,4-dihydro-2H-1,3-benzoxazin-3-ium Traditional Name: 6-(1,3-benzothiazol-2-yl)-8-methoxy-3-[[(2R)-tetrahydrofuran-2-yl]methyl]-3,4-dihydro-2H-1,3-benzoxazin-3-ium Formula: C21H23N2O3S+ MolecularWeight: 383.48392

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC2=C1OC[NH+](C2)CC3CCCO3)C4=NC5=CC=CC=C5S4

Isomeric SMILES

COC1=CC(=CC2=C1OC[NH+](C2)C[C@H]3CCCO3)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C21H22N2O3S/c1-24-18-10-14(21-22-17-6-2-3-7-19(17)27-21)9-15-11-23(13-26-20(15)18)12-16-5-4-8-25-16/h2-3,6-7,9-10,16H,4-5,8,11-13H2,1H3/p+1/t16-/m1/s1