6-chloranyl-3-[(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)methyl]-1,3-benzoxazol-2-one

Systemtic Name: 6-chloranyl-3-[(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)methyl]-1,3-benzoxazol-2-one Openeye Name: 6-chloro-3-[(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)methyl]-1,3-benzoxazol-2-one CAS Name: 6-chloro-3-[(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)methyl]-1,3-benzoxazol-2-one IUPAC Name: 6-chloro-3-[(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)methyl]-1,3-benzoxazol-2-one Traditional Name: 6-chloro-3-[(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)methyl]-1,3-benzoxazol-2-one Formula: C19H20ClN2O4+ MolecularWeight: 375.8261

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C[NH+](CCC2=C1)CN3C4=C(C=C(C=C4)Cl)OC3=O)OC

Isomeric SMILES

COC1=C(C=C2C[NH+](CCC2=C1)CN3C4=C(C=C(C=C4)Cl)OC3=O)OC

InChI

InChI=1S/C19H19ClN2O4/c1-24-17-7-12-5-6-21(10-13(12)8-18(17)25-2)11-22-15-4-3-14(20)9-16(15)26-19(22)23/h3-4,7-9H,5-6,10-11H2,1-2H3/p+1