1-(2-morpholin-4-ylethyl)-3-phenyl-5-(phenylcarbamoyl)-1,2,3-triazol-1-ium-4-olate

Systemtic Name: 1-(2-morpholin-4-ylethyl)-3-phenyl-5-(phenylcarbamoyl)-1,2,3-triazol-1-ium-4-olate Openeye Name: 1-(2-morpholinoethyl)-3-phenyl-5-(phenylcarbamoyl)triazol-1-ium-4-olate CAS Name: 5-[anilino(oxo)methyl]-1-[2-(4-morpholinyl)ethyl]-3-phenyl-4-triazol-1-iumolate IUPAC Name: 1-(2-morpholin-4-ylethyl)-3-phenyl-5-(phenylcarbamoyl)triazol-1-ium-4-olate Traditional Name: 1-(2-morpholinoethyl)-3-phenyl-5-(phenylcarbamoyl)triazol-1-ium-4-olate Formula: C21H23N5O3 MolecularWeight: 393.43902

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CC[N+]2=NN(C(=C2C(=O)NC3=CC=CC=C3)[O-])C4=CC=CC=C4

Isomeric SMILES

C1COCCN1CC[N+]2=NN(C(=C2C(=O)NC3=CC=CC=C3)[O-])C4=CC=CC=C4

InChI

InChI=1S/C21H23N5O3/c27-20(22-17-7-3-1-4-8-17)19-21(28)26(18-9-5-2-6-10-18)23-25(19)12-11-24-13-15-29-16-14-24/h1-10H,11-16H2,(H-,22,23,27,28)