3-[[1-(4-methoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]carbonylamino]propyl-dimethyl-azanium

Systemtic Name: 3-[[1-(4-methoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]carbonylamino]propyl-dimethyl-azanium Openeye Name: 3-[[1-(4-methoxyphenyl)-5-phenyl-1,2,4-triazole-3-carbonyl]amino]propyl-dimethyl-ammonium CAS Name: 3-[[[1-(4-methoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]-oxomethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[1-(4-methoxyphenyl)-5-phenyl-1,2,4-triazole-3-carbonyl]amino]propyl-dimethylazanium Traditional Name: 3-[[1-(4-methoxyphenyl)-5-phenyl-1,2,4-triazole-3-carbonyl]amino]propyl-dimethyl-ammonium Formula: C21H26N5O2+ MolecularWeight: 380.46344

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCNC(=O)C1=NN(C(=N1)C2=CC=CC=C2)C3=CC=C(C=C3)OC

Isomeric SMILES

C[NH+](C)CCCNC(=O)C1=NN(C(=N1)C2=CC=CC=C2)C3=CC=C(C=C3)OC

InChI

InChI=1S/C21H25N5O2/c1-25(2)15-7-14-22-21(27)19-23-20(16-8-5-4-6-9-16)26(24-19)17-10-12-18(28-3)13-11-17/h4-6,8-13H,7,14-15H2,1-3H3,(H,22,27)/p+1