(4-methoxyphenyl)methyl-methyl-[[3-(4-nitrophenyl)-1,2,4-triazol-1-yl]methyl]azanium

Systemtic Name: (4-methoxyphenyl)methyl-methyl-[[3-(4-nitrophenyl)-1,2,4-triazol-1-yl]methyl]azanium Openeye Name: (4-methoxyphenyl)methyl-methyl-[[3-(4-nitrophenyl)-1,2,4-triazol-1-yl]methyl]ammonium CAS Name: (4-methoxyphenyl)methyl-methyl-[[3-(4-nitrophenyl)-1,2,4-triazol-1-yl]methyl]ammonium IUPAC Name: (4-methoxyphenyl)methyl-methyl-[[3-(4-nitrophenyl)-1,2,4-triazol-1-yl]methyl]azanium Traditional Name: methyl-[[3-(4-nitrophenyl)-1,2,4-triazol-1-yl]methyl]-p-anisyl-ammonium Formula: C18H20N5O3+ MolecularWeight: 354.3831

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=C(C=C1)OC)CN2C=NC(=N2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C[NH+](CC1=CC=C(C=C1)OC)CN2C=NC(=N2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H19N5O3/c1-21(11-14-3-9-17(26-2)10-4-14)13-22-12-19-18(20-22)15-5-7-16(8-6-15)23(24)25/h3-10,12H,11,13H2,1-2H3/p+1