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

Systemtic Name: (1S)-1-(1-benzothiophen-2-yl)-6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium Openeye Name: (1S)-1-(benzothiophen-2-yl)-6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium CAS Name: (1S)-1-(1-benzothiophen-2-yl)-6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium IUPAC Name: (1S)-1-(1-benzothiophen-2-yl)-6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium Traditional Name: (1S)-1-(benzothiophen-2-yl)-6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium Formula: C21H24NO2S+ MolecularWeight: 354.48576

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C([NH2+]CCC2=C1)C3=CC4=CC=CC=C4S3)OCC

Isomeric SMILES

CCOC1=C(C=C2[C@H]([NH2+]CCC2=C1)C3=CC4=CC=CC=C4S3)OCC

InChI

InChI=1S/C21H23NO2S/c1-3-23-17-11-14-9-10-22-21(16(14)13-18(17)24-4-2)20-12-15-7-5-6-8-19(15)25-20/h5-8,11-13,21-22H,3-4,9-10H2,1-2H3/p+1/t21-/m0/s1