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

Systemtic Name: (1S)-6,7-diethoxy-1-(3-phenoxyphenyl)-1,2,3,4-tetrahydroisoquinolin-2-ium Openeye Name: (1S)-6,7-diethoxy-1-(3-phenoxyphenyl)-1,2,3,4-tetrahydroisoquinolin-2-ium CAS Name: (1S)-6,7-diethoxy-1-(3-phenoxyphenyl)-1,2,3,4-tetrahydroisoquinolin-2-ium IUPAC Name: (1S)-6,7-diethoxy-1-(3-phenoxyphenyl)-1,2,3,4-tetrahydroisoquinolin-2-ium Traditional Name: (1S)-6,7-diethoxy-1-(3-phenoxyphenyl)-1,2,3,4-tetrahydroisoquinolin-2-ium Formula: C25H28NO3+ MolecularWeight: 390.49472

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C([NH2+]CCC2=C1)C3=CC(=CC=C3)OC4=CC=CC=C4)OCC

Isomeric SMILES

CCOC1=C(C=C2[C@@H]([NH2+]CCC2=C1)C3=CC(=CC=C3)OC4=CC=CC=C4)OCC

InChI

InChI=1S/C25H27NO3/c1-3-27-23-16-18-13-14-26-25(22(18)17-24(23)28-4-2)19-9-8-12-21(15-19)29-20-10-6-5-7-11-20/h5-12,15-17,25-26H,3-4,13-14H2,1-2H3/p+1/t25-/m0/s1