4-[4-oxidanylidene-3-phenyl-5-(phenylcarbamoyl)-2H-1,2,3-triazol-1-ium-1-yl]butyl ethanoate

Systemtic Name: 4-[4-oxidanylidene-3-phenyl-5-(phenylcarbamoyl)-2H-1,2,3-triazol-1-ium-1-yl]butyl ethanoate Openeye Name: 4-[4-oxo-3-phenyl-5-(phenylcarbamoyl)-2H-triazol-1-ium-1-yl]butyl acetate CAS Name: acetic acid 4-[5-[anilino(oxo)methyl]-4-oxo-3-phenyl-2H-triazol-1-ium-1-yl]butyl ester IUPAC Name: 4-[4-oxo-3-phenyl-5-(phenylcarbamoyl)-2H-triazol-1-ium-1-yl]butyl acetate Traditional Name: acetic acid 4-[4-keto-3-phenyl-5-(phenylcarbamoyl)-2H-triazol-1-ium-1-yl]butyl ester Formula: C21H23N4O4+ MolecularWeight: 395.43172

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCCCC[N+]1=C(C(=O)N(N1)C2=CC=CC=C2)C(=O)NC3=CC=CC=C3

Isomeric SMILES

CC(=O)OCCCC[N+]1=C(C(=O)N(N1)C2=CC=CC=C2)C(=O)NC3=CC=CC=C3

InChI

InChI=1S/C21H22N4O4/c1-16(26)29-15-9-8-14-24-19(20(27)22-17-10-4-2-5-11-17)21(28)25(23-24)18-12-6-3-7-13-18/h2-7,10-13H,8-9,14-15H2,1H3,(H-,22,23,27,28)/p+1