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

Systemtic Name: 2-chloranyl-4-[(1S)-6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]phenol Openeye Name: 2-chloro-4-[(1S)-6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]phenol CAS Name: 2-chloro-4-[(1S)-6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]phenol IUPAC Name: 2-chloro-4-[(1S)-6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]phenol Traditional Name: 2-chloro-4-[(1S)-6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]phenol Formula: C19H23ClNO3+ MolecularWeight: 348.84382

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22ClNO3/c1-3-23-17-10-12-7-8-21-19(14(12)11-18(17)24-4-2)13-5-6-16(22)15(20)9-13/h5-6,9-11,19,21-22H,3-4,7-8H2,1-2H3/p+1/t19-/m0/s1