(4-tert-butylphenyl)methyl-methyl-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]azanium

Systemtic Name: (4-tert-butylphenyl)methyl-methyl-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]azanium Openeye Name: (4-tert-butylphenyl)methyl-methyl-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]ammonium CAS Name: (4-tert-butylphenyl)methyl-methyl-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]ammonium IUPAC Name: (4-tert-butylphenyl)methyl-methyl-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]azanium Traditional Name: (4-tert-butylbenzyl)-methyl-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]ammonium Formula: C21H27N2O4+ MolecularWeight: 371.45008

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C[NH+](C)CC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C[NH+](C)CC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3

InChI

InChI=1S/C21H26N2O4/c1-21(2,3)18-7-5-15(6-8-18)11-22(4)12-16-9-19(23(24)25)10-17-13-26-14-27-20(16)17/h5-10H,11-14H2,1-4H3/p+1