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

Systemtic Name: 2-[(E)-3-(2-nitrophenyl)prop-2-enyl]-1,2,3,4-tetrahydroisoquinolin-2-ium Openeye Name: 2-[(E)-3-(2-nitrophenyl)allyl]-1,2,3,4-tetrahydroisoquinolin-2-ium CAS Name: 2-[(E)-3-(2-nitrophenyl)prop-2-enyl]-1,2,3,4-tetrahydroisoquinolin-2-ium IUPAC Name: 2-[(E)-3-(2-nitrophenyl)prop-2-enyl]-1,2,3,4-tetrahydroisoquinolin-2-ium Traditional Name: 2-[(E)-3-(2-nitrophenyl)allyl]-1,2,3,4-tetrahydroisoquinolin-2-ium Formula: C18H19N2O2+ MolecularWeight: 295.35566

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC2=CC=CC=C21)CC=CC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

C1C[NH+](CC2=CC=CC=C21)C/C=C/C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C18H18N2O2/c21-20(22)18-10-4-3-7-16(18)9-5-12-19-13-11-15-6-1-2-8-17(15)14-19/h1-10H,11-14H2/p+1/b9-5+