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

Systemtic Name: (1S)-6,7-diethoxy-1-(4-nitrophenyl)-1,2,3,4-tetrahydroisoquinolin-2-ium Openeye Name: (1S)-6,7-diethoxy-1-(4-nitrophenyl)-1,2,3,4-tetrahydroisoquinolin-2-ium CAS Name: (1S)-6,7-diethoxy-1-(4-nitrophenyl)-1,2,3,4-tetrahydroisoquinolin-2-ium IUPAC Name: (1S)-6,7-diethoxy-1-(4-nitrophenyl)-1,2,3,4-tetrahydroisoquinolin-2-ium Traditional Name: (1S)-6,7-diethoxy-1-(4-nitrophenyl)-1,2,3,4-tetrahydroisoquinolin-2-ium Formula: C19H23N2O4+ MolecularWeight: 343.39692

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C([NH2+]CCC2=C1)C3=CC=C(C=C3)[N+](=O)[O-])OCC

Isomeric SMILES

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

InChI

InChI=1S/C19H22N2O4/c1-3-24-17-11-14-9-10-20-19(16(14)12-18(17)25-4-2)13-5-7-15(8-6-13)21(22)23/h5-8,11-12,19-20H,3-4,9-10H2,1-2H3/p+1/t19-/m0/s1