2-methyl-1-(4-methyl-3-nitro-phenyl)-7-nitro-3,4-dihydroisoquinolin-2-ium

Systemtic Name: 2-methyl-1-(4-methyl-3-nitro-phenyl)-7-nitro-3,4-dihydroisoquinolin-2-ium Openeye Name: 2-methyl-1-(4-methyl-3-nitro-phenyl)-7-nitro-3,4-dihydroisoquinolin-2-ium CAS Name: 2-methyl-1-(4-methyl-3-nitrophenyl)-7-nitro-3,4-dihydroisoquinolin-2-ium IUPAC Name: 2-methyl-1-(4-methyl-3-nitrophenyl)-7-nitro-3,4-dihydroisoquinolin-2-ium Traditional Name: 2-methyl-1-(4-methyl-3-nitro-phenyl)-7-nitro-3,4-dihydroisoquinolin-2-ium Formula: C17H16N3O4+ MolecularWeight: 326.32664

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=[N+](CCC3=C2C=C(C=C3)[N+](=O)[O-])C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C2=[N+](CCC3=C2C=C(C=C3)[N+](=O)[O-])C)[N+](=O)[O-]

InChI

InChI=1S/C17H16N3O4/c1-11-3-4-13(9-16(11)20(23)24)17-15-10-14(19(21)22)6-5-12(15)7-8-18(17)2/h3-6,9-10H,7-8H2,1-2H3/q+1