(1S)-6,7-diethoxy-1-(4-propan-2-yloxyphenyl)-1,2,3,4-tetrahydroisoquinolin-2-ium

Systemtic Name: (1S)-6,7-diethoxy-1-(4-propan-2-yloxyphenyl)-1,2,3,4-tetrahydroisoquinolin-2-ium Openeye Name: (1S)-6,7-diethoxy-1-(4-isopropoxyphenyl)-1,2,3,4-tetrahydroisoquinolin-2-ium CAS Name: (1S)-6,7-diethoxy-1-(4-propan-2-yloxyphenyl)-1,2,3,4-tetrahydroisoquinolin-2-ium IUPAC Name: (1S)-6,7-diethoxy-1-(4-propan-2-yloxyphenyl)-1,2,3,4-tetrahydroisoquinolin-2-ium Traditional Name: (1S)-6,7-diethoxy-1-(4-isopropoxyphenyl)-1,2,3,4-tetrahydroisoquinolin-2-ium Formula: C22H30NO3+ MolecularWeight: 356.4785

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29NO3/c1-5-24-20-13-17-11-12-23-22(19(17)14-21(20)25-6-2)16-7-9-18(10-8-16)26-15(3)4/h7-10,13-15,22-23H,5-6,11-12H2,1-4H3/p+1/t22-/m0/s1