2-(2-chloroethyl)-2-methyl-8-nitro-3,4-dihydro-1H-isoquinolin-2-ium

Systemtic Name: 2-(2-chloroethyl)-2-methyl-8-nitro-3,4-dihydro-1H-isoquinolin-2-ium Openeye Name: 2-(2-chloroethyl)-2-methyl-8-nitro-3,4-dihydro-1H-isoquinolin-2-ium CAS Name: 2-(2-chloroethyl)-2-methyl-8-nitro-3,4-dihydro-1H-isoquinolin-2-ium IUPAC Name: 2-(2-chloroethyl)-2-methyl-8-nitro-3,4-dihydro-1H-isoquinolin-2-ium Traditional Name: 2-(2-chloroethyl)-2-methyl-8-nitro-3,4-dihydro-1H-isoquinolin-2-ium Formula: C12H16ClN2O2+ MolecularWeight: 255.72064

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCC2=C(C1)C(=CC=C2)[N+](=O)[O-])CCCl

Isomeric SMILES

C[N+]1(CCC2=C(C1)C(=CC=C2)[N+](=O)[O-])CCCl

InChI

InChI=1S/C12H16ClN2O2/c1-15(8-6-13)7-5-10-3-2-4-12(14(16)17)11(10)9-15/h2-4H,5-9H2,1H3/q+1