[(1S)-1-(4-ethylphenyl)-2-methyl-propyl]-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]azanium

Systemtic Name: [(1S)-1-(4-ethylphenyl)-2-methyl-propyl]-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]azanium Openeye Name: [(1S)-1-(4-ethylphenyl)-2-methyl-propyl]-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]ammonium CAS Name: [(1S)-1-(4-ethylphenyl)-2-methylpropyl]-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]ammonium IUPAC Name: [(1S)-1-(4-ethylphenyl)-2-methylpropyl]-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]azanium Traditional Name: [(1S)-1-(4-ethylphenyl)-2-methyl-propyl]-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]ammonium Formula: C21H27N2O4+ MolecularWeight: 371.45008

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(C(C)C)[NH2+]CC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3

Isomeric SMILES

CCC1=CC=C(C=C1)[C@H](C(C)C)[NH2+]CC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3

InChI

InChI=1S/C21H26N2O4/c1-4-15-5-7-16(8-6-15)20(14(2)3)22-11-17-9-19(23(24)25)10-18-12-26-13-27-21(17)18/h5-10,14,20,22H,4,11-13H2,1-3H3/p+1/t20-/m0/s1