(1S)-1-(6-bromanyl-1,3-benzodioxol-5-yl)-6-ethoxy-7-methoxy-1,2,3,4-tetrahydroisoquinolin-2-ium

Systemtic Name: (1S)-1-(6-bromanyl-1,3-benzodioxol-5-yl)-6-ethoxy-7-methoxy-1,2,3,4-tetrahydroisoquinolin-2-ium Openeye Name: (1S)-1-(6-bromo-1,3-benzodioxol-5-yl)-6-ethoxy-7-methoxy-1,2,3,4-tetrahydroisoquinolin-2-ium CAS Name: (1S)-1-(6-bromo-1,3-benzodioxol-5-yl)-6-ethoxy-7-methoxy-1,2,3,4-tetrahydroisoquinolin-2-ium IUPAC Name: (1S)-1-(6-bromo-1,3-benzodioxol-5-yl)-6-ethoxy-7-methoxy-1,2,3,4-tetrahydroisoquinolin-2-ium Traditional Name: (1S)-1-(6-bromo-1,3-benzodioxol-5-yl)-6-ethoxy-7-methoxy-1,2,3,4-tetrahydroisoquinolin-2-ium Formula: C19H21BrNO4+ MolecularWeight: 407.27834

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C([NH2+]CCC2=C1)C3=CC4=C(C=C3Br)OCO4)OC

Isomeric SMILES

CCOC1=C(C=C2[C@H]([NH2+]CCC2=C1)C3=CC4=C(C=C3Br)OCO4)OC

InChI

InChI=1S/C19H20BrNO4/c1-3-23-16-6-11-4-5-21-19(12(11)7-15(16)22-2)13-8-17-18(9-14(13)20)25-10-24-17/h6-9,19,21H,3-5,10H2,1-2H3/p+1/t19-/m0/s1