(4-ethoxy-3-methoxy-phenyl)methyl-ethyl-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]azanium

Systemtic Name: (4-ethoxy-3-methoxy-phenyl)methyl-ethyl-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]azanium Openeye Name: (4-ethoxy-3-methoxy-phenyl)methyl-ethyl-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]ammonium CAS Name: (4-ethoxy-3-methoxyphenyl)methyl-ethyl-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]ammonium IUPAC Name: (4-ethoxy-3-methoxyphenyl)methyl-ethyl-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]azanium Traditional Name: (4-ethoxy-3-methoxy-benzyl)-ethyl-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]ammonium Formula: C21H27N2O6+ MolecularWeight: 403.44888

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1=CC(=C(C=C1)OCC)OC)CC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3

Isomeric SMILES

CC[NH+](CC1=CC(=C(C=C1)OCC)OC)CC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3

InChI

InChI=1S/C21H26N2O6/c1-4-22(11-15-6-7-19(28-5-2)20(8-15)26-3)12-16-9-18(23(24)25)10-17-13-27-14-29-21(16)17/h6-10H,4-5,11-14H2,1-3H3/p+1