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

Systemtic Name: 2-chloranyl-4-[(1S)-6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]-6-ethoxy-phenol Openeye Name: 2-chloro-4-[(1S)-6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]-6-ethoxy-phenol CAS Name: 2-chloro-4-[(1S)-6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]-6-ethoxyphenol IUPAC Name: 2-chloro-4-[(1S)-6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]-6-ethoxyphenol Traditional Name: 2-chloro-4-[(1S)-6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]-6-ethoxy-phenol Formula: C21H27ClNO4+ MolecularWeight: 392.89638

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26ClNO4/c1-4-25-17-10-13-7-8-23-20(15(13)12-18(17)26-5-2)14-9-16(22)21(24)19(11-14)27-6-3/h9-12,20,23-24H,4-8H2,1-3H3/p+1/t20-/m0/s1