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

Systemtic Name: (1S)-1-(3,4-diethoxyphenyl)-6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium Openeye Name: (1S)-1-(3,4-diethoxyphenyl)-6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium CAS Name: (1S)-1-(3,4-diethoxyphenyl)-6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium IUPAC Name: (1S)-1-(3,4-diethoxyphenyl)-6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium Traditional Name: (1S)-1-(3,4-diethoxyphenyl)-6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium Formula: C23H32NO4+ MolecularWeight: 386.50448

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C2C3=CC(=C(C=C3CC[NH2+]2)OCC)OCC)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)[C@H]2C3=CC(=C(C=C3CC[NH2+]2)OCC)OCC)OCC

InChI

InChI=1S/C23H31NO4/c1-5-25-19-10-9-17(14-20(19)26-6-2)23-18-15-22(28-8-4)21(27-7-3)13-16(18)11-12-24-23/h9-10,13-15,23-24H,5-8,11-12H2,1-4H3/p+1/t23-/m0/s1