(1S)-6-ethoxy-1-(3-iodanylphenyl)-7-methoxy-1,2,3,4-tetrahydroisoquinolin-2-ium

Systemtic Name: (1S)-6-ethoxy-1-(3-iodanylphenyl)-7-methoxy-1,2,3,4-tetrahydroisoquinolin-2-ium Openeye Name: (1S)-6-ethoxy-1-(3-iodophenyl)-7-methoxy-1,2,3,4-tetrahydroisoquinolin-2-ium CAS Name: (1S)-6-ethoxy-1-(3-iodophenyl)-7-methoxy-1,2,3,4-tetrahydroisoquinolin-2-ium IUPAC Name: (1S)-6-ethoxy-1-(3-iodophenyl)-7-methoxy-1,2,3,4-tetrahydroisoquinolin-2-ium Traditional Name: (1S)-6-ethoxy-1-(3-iodophenyl)-7-methoxy-1,2,3,4-tetrahydroisoquinolin-2-ium Formula: C18H21INO2+ MolecularWeight: 410.26931

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C([NH2+]CCC2=C1)C3=CC(=CC=C3)I)OC

Isomeric SMILES

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

InChI

InChI=1S/C18H20INO2/c1-3-22-17-10-12-7-8-20-18(15(12)11-16(17)21-2)13-5-4-6-14(19)9-13/h4-6,9-11,18,20H,3,7-8H2,1-2H3/p+1/t18-/m0/s1