6,7-dimethoxy-2-[(E)-3-(2-nitrophenyl)prop-2-enyl]-1,2,3,4-tetrahydroisoquinolin-2-ium

Systemtic Name: 6,7-dimethoxy-2-[(E)-3-(2-nitrophenyl)prop-2-enyl]-1,2,3,4-tetrahydroisoquinolin-2-ium Openeye Name: 6,7-dimethoxy-2-[(E)-3-(2-nitrophenyl)allyl]-1,2,3,4-tetrahydroisoquinolin-2-ium CAS Name: 6,7-dimethoxy-2-[(E)-3-(2-nitrophenyl)prop-2-enyl]-1,2,3,4-tetrahydroisoquinolin-2-ium IUPAC Name: 6,7-dimethoxy-2-[(E)-3-(2-nitrophenyl)prop-2-enyl]-1,2,3,4-tetrahydroisoquinolin-2-ium Traditional Name: 6,7-dimethoxy-2-[(E)-3-(2-nitrophenyl)allyl]-1,2,3,4-tetrahydroisoquinolin-2-ium Formula: C20H23N2O4+ MolecularWeight: 355.40762

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N2O4/c1-25-19-12-16-9-11-21(14-17(16)13-20(19)26-2)10-5-7-15-6-3-4-8-18(15)22(23)24/h3-8,12-13H,9-11,14H2,1-2H3/p+1/b7-5+