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

Systemtic Name: 2-[3-(2-nitrophenoxy)propyl]-1,2,3,4-tetrahydroisoquinolin-2-ium Openeye Name: 2-[3-(2-nitrophenoxy)propyl]-1,2,3,4-tetrahydroisoquinolin-2-ium CAS Name: 2-[3-(2-nitrophenoxy)propyl]-1,2,3,4-tetrahydroisoquinolin-2-ium IUPAC Name: 2-[3-(2-nitrophenoxy)propyl]-1,2,3,4-tetrahydroisoquinolin-2-ium Traditional Name: 2-[3-(2-nitrophenoxy)propyl]-1,2,3,4-tetrahydroisoquinolin-2-ium Formula: C18H21N2O3+ MolecularWeight: 313.37094

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC2=CC=CC=C21)CCCOC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

C1C[NH+](CC2=CC=CC=C21)CCCOC3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C18H20N2O3/c21-20(22)17-8-3-4-9-18(17)23-13-5-11-19-12-10-15-6-1-2-7-16(15)14-19/h1-4,6-9H,5,10-14H2/p+1