2-[4-(4-nitrophenoxy)butyl]-1,2,3,4-tetrahydroisoquinolin-2-ium

Systemtic Name: 2-[4-(4-nitrophenoxy)butyl]-1,2,3,4-tetrahydroisoquinolin-2-ium Openeye Name: 2-[4-(4-nitrophenoxy)butyl]-1,2,3,4-tetrahydroisoquinolin-2-ium CAS Name: 2-[4-(4-nitrophenoxy)butyl]-1,2,3,4-tetrahydroisoquinolin-2-ium IUPAC Name: 2-[4-(4-nitrophenoxy)butyl]-1,2,3,4-tetrahydroisoquinolin-2-ium Traditional Name: 2-[4-(4-nitrophenoxy)butyl]-1,2,3,4-tetrahydroisoquinolin-2-ium Formula: C19H23N2O3+ MolecularWeight: 327.39752

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC2=CC=CC=C21)CCCCOC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1C[NH+](CC2=CC=CC=C21)CCCCOC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H22N2O3/c22-21(23)18-7-9-19(10-8-18)24-14-4-3-12-20-13-11-16-5-1-2-6-17(16)15-20/h1-2,5-10H,3-4,11-15H2/p+1