3-(2-morpholin-4-ylethyl)-5-oxidanylidene-N,1-bis(phenylmethyl)-2H-1,2,3-triazol-3-ium-4-carboxamide

Systemtic Name: 3-(2-morpholin-4-ylethyl)-5-oxidanylidene-N,1-bis(phenylmethyl)-2H-1,2,3-triazol-3-ium-4-carboxamide Openeye Name: N,1-dibenzyl-3-(2-morpholinoethyl)-5-oxo-2H-triazol-3-ium-4-carboxamide CAS Name: 3-[2-(4-morpholinyl)ethyl]-5-oxo-N,1-bis(phenylmethyl)-2H-triazol-3-ium-4-carboxamide IUPAC Name: N,1-dibenzyl-3-(2-morpholin-4-ylethyl)-5-oxo-2H-triazol-3-ium-4-carboxamide Traditional Name: N,1-dibenzyl-5-keto-3-(2-morpholinoethyl)-2H-triazol-3-ium-4-carboxamide Formula: C23H28N5O3+ MolecularWeight: 422.50012

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CC[N+]2=C(C(=O)N(N2)CC3=CC=CC=C3)C(=O)NCC4=CC=CC=C4

Isomeric SMILES

C1COCCN1CC[N+]2=C(C(=O)N(N2)CC3=CC=CC=C3)C(=O)NCC4=CC=CC=C4

InChI

InChI=1S/C23H27N5O3/c29-22(24-17-19-7-3-1-4-8-19)21-23(30)28(18-20-9-5-2-6-10-20)25-27(21)12-11-26-13-15-31-16-14-26/h1-10H,11-18H2,(H-,24,25,29,30)/p+1