methyl-[(6-nitro-1H-benzimidazol-2-yl)methyl]-[(4-prop-2-enoxyphenyl)methyl]azanium

Systemtic Name: methyl-[(6-nitro-1H-benzimidazol-2-yl)methyl]-[(4-prop-2-enoxyphenyl)methyl]azanium Openeye Name: (4-allyloxyphenyl)methyl-methyl-[(6-nitro-1H-benzimidazol-2-yl)methyl]ammonium CAS Name: methyl-[(6-nitro-1H-benzimidazol-2-yl)methyl]-[(4-prop-2-enoxyphenyl)methyl]ammonium IUPAC Name: methyl-[(6-nitro-1H-benzimidazol-2-yl)methyl]-[(4-prop-2-enoxyphenyl)methyl]azanium Traditional Name: (4-allyloxybenzyl)-methyl-[(6-nitro-1H-benzimidazol-2-yl)methyl]ammonium Formula: C19H21N4O3+ MolecularWeight: 353.39504

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=C(C=C1)OCC=C)CC2=NC3=C(N2)C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C[NH+](CC1=CC=C(C=C1)OCC=C)CC2=NC3=C(N2)C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H20N4O3/c1-3-10-26-16-7-4-14(5-8-16)12-22(2)13-19-20-17-9-6-15(23(24)25)11-18(17)21-19/h3-9,11H,1,10,12-13H2,2H3,(H,20,21)/p+1