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

Systemtic Name: (1S)-1-(1,3-benzodioxol-5-yl)-6-ethoxy-7-methoxy-1,2,3,4-tetrahydroisoquinolin-2-ium Openeye Name: (1S)-1-(1,3-benzodioxol-5-yl)-6-ethoxy-7-methoxy-1,2,3,4-tetrahydroisoquinolin-2-ium CAS Name: (1S)-1-(1,3-benzodioxol-5-yl)-6-ethoxy-7-methoxy-1,2,3,4-tetrahydroisoquinolin-2-ium IUPAC Name: (1S)-1-(1,3-benzodioxol-5-yl)-6-ethoxy-7-methoxy-1,2,3,4-tetrahydroisoquinolin-2-ium Traditional Name: (1S)-1-(1,3-benzodioxol-5-yl)-6-ethoxy-7-methoxy-1,2,3,4-tetrahydroisoquinolin-2-ium Formula: C19H22NO4+ MolecularWeight: 328.38228

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21NO4/c1-3-22-18-8-12-6-7-20-19(14(12)10-16(18)21-2)13-4-5-15-17(9-13)24-11-23-15/h4-5,8-10,19-20H,3,6-7,11H2,1-2H3/p+1/t19-/m0/s1