5-chloranyl-4-[(1S)-6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]-2-methoxy-phenol

Systemtic Name: 5-chloranyl-4-[(1S)-6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]-2-methoxy-phenol Openeye Name: 5-chloro-4-[(1S)-6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]-2-methoxy-phenol CAS Name: 5-chloro-4-[(1S)-6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]-2-methoxyphenol IUPAC Name: 5-chloro-4-[(1S)-6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]-2-methoxyphenol Traditional Name: 5-chloro-4-[(1S)-6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]-2-methoxy-phenol Formula: C20H25ClNO4+ MolecularWeight: 378.8698

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C([NH2+]CCC2=C1)C3=CC(=C(C=C3Cl)O)OC)OCC

Isomeric SMILES

CCOC1=C(C=C2[C@H]([NH2+]CCC2=C1)C3=CC(=C(C=C3Cl)O)OC)OCC

InChI

InChI=1S/C20H24ClNO4/c1-4-25-18-8-12-6-7-22-20(13(12)9-19(18)26-5-2)14-10-17(24-3)16(23)11-15(14)21/h8-11,20,22-23H,4-7H2,1-3H3/p+1/t20-/m0/s1