2,4,4-trimethyl-7-nitro-3H-isoquinolin-2-ium

Systemtic Name: 2,4,4-trimethyl-7-nitro-3H-isoquinolin-2-ium Openeye Name: 2,4,4-trimethyl-7-nitro-3H-isoquinolin-2-ium CAS Name: 2,4,4-trimethyl-7-nitro-3H-isoquinolin-2-ium IUPAC Name: 2,4,4-trimethyl-7-nitro-3H-isoquinolin-2-ium Traditional Name: 2,4,4-trimethyl-7-nitro-3H-isoquinolin-2-ium Formula: C12H15N2O2+ MolecularWeight: 219.2597

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C[N+](=CC2=C1C=CC(=C2)[N+](=O)[O-])C)C

Isomeric SMILES

CC1(C[N+](=CC2=C1C=CC(=C2)[N+](=O)[O-])C)C

InChI

InChI=1S/C12H15N2O2/c1-12(2)8-13(3)7-9-6-10(14(15)16)4-5-11(9)12/h4-7H,8H2,1-3H3/q+1