N-(3-morpholin-4-ium-4-ylpropyl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide

Systemtic Name: N-(3-morpholin-4-ium-4-ylpropyl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide Openeye Name: N-(3-morpholin-4-ium-4-ylpropyl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide CAS Name: N-[3-(4-morpholin-4-iumyl)propyl]-1,5-diphenyl-1,2,4-triazole-3-carboxamide IUPAC Name: N-(3-morpholin-4-ium-4-ylpropyl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide Traditional Name: N-(3-morpholin-4-ium-4-ylpropyl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide Formula: C22H26N5O2+ MolecularWeight: 392.47414

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCCNC(=O)C2=NN(C(=N2)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C1COCC[NH+]1CCCNC(=O)C2=NN(C(=N2)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C22H25N5O2/c28-22(23-12-7-13-26-14-16-29-17-15-26)20-24-21(18-8-3-1-4-9-18)27(25-20)19-10-5-2-6-11-19/h1-6,8-11H,7,12-17H2,(H,23,28)/p+1