(1S)-6,7-dimethoxy-2-[(4-nitrophenyl)methyl]-1-thiophen-2-yl-1,2,3,4-tetrahydroisoquinolin-2-ium

Systemtic Name: (1S)-6,7-dimethoxy-2-[(4-nitrophenyl)methyl]-1-thiophen-2-yl-1,2,3,4-tetrahydroisoquinolin-2-ium Openeye Name: (1S)-6,7-dimethoxy-2-[(4-nitrophenyl)methyl]-1-(2-thienyl)-1,2,3,4-tetrahydroisoquinolin-2-ium CAS Name: (1S)-6,7-dimethoxy-2-[(4-nitrophenyl)methyl]-1-thiophen-2-yl-1,2,3,4-tetrahydroisoquinolin-2-ium IUPAC Name: (1S)-6,7-dimethoxy-2-[(4-nitrophenyl)methyl]-1-thiophen-2-yl-1,2,3,4-tetrahydroisoquinolin-2-ium Traditional Name: (1S)-6,7-dimethoxy-2-(4-nitrobenzyl)-1-(2-thienyl)-1,2,3,4-tetrahydroisoquinolin-2-ium Formula: C22H23N2O4S+ MolecularWeight: 411.49402

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C([NH+](CCC2=C1)CC3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CS4)OC

Isomeric SMILES

COC1=C(C=C2[C@H]([NH+](CCC2=C1)CC3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CS4)OC

InChI

InChI=1S/C22H22N2O4S/c1-27-19-12-16-9-10-23(14-15-5-7-17(8-6-15)24(25)26)22(21-4-3-11-29-21)18(16)13-20(19)28-2/h3-8,11-13,22H,9-10,14H2,1-2H3/p+1/t22-/m0/s1