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

Systemtic Name: (1S)-6,7-diethoxy-1-(3-ethoxy-4-methoxy-phenyl)-1,2,3,4-tetrahydroisoquinolin-2-ium Openeye Name: (1S)-6,7-diethoxy-1-(3-ethoxy-4-methoxy-phenyl)-1,2,3,4-tetrahydroisoquinolin-2-ium CAS Name: (1S)-6,7-diethoxy-1-(3-ethoxy-4-methoxyphenyl)-1,2,3,4-tetrahydroisoquinolin-2-ium IUPAC Name: (1S)-6,7-diethoxy-1-(3-ethoxy-4-methoxyphenyl)-1,2,3,4-tetrahydroisoquinolin-2-ium Traditional Name: (1S)-6,7-diethoxy-1-(3-ethoxy-4-methoxy-phenyl)-1,2,3,4-tetrahydroisoquinolin-2-ium Formula: C22H30NO4+ MolecularWeight: 372.4779

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29NO4/c1-5-25-19-13-16(8-9-18(19)24-4)22-17-14-21(27-7-3)20(26-6-2)12-15(17)10-11-23-22/h8-9,12-14,22-23H,5-7,10-11H2,1-4H3/p+1/t22-/m0/s1