3-(3-chloranyl-2-oxidanyl-propyl)-5-oxidanylidene-N,1-bis(phenylmethyl)-2H-1,2,3-triazol-3-ium-4-carboxamide

Systemtic Name: 3-(3-chloranyl-2-oxidanyl-propyl)-5-oxidanylidene-N,1-bis(phenylmethyl)-2H-1,2,3-triazol-3-ium-4-carboxamide Openeye Name: N,1-dibenzyl-3-(3-chloro-2-hydroxy-propyl)-5-oxo-2H-triazol-3-ium-4-carboxamide CAS Name: 3-(3-chloro-2-hydroxypropyl)-5-oxo-N,1-bis(phenylmethyl)-2H-triazol-3-ium-4-carboxamide IUPAC Name: N,1-dibenzyl-3-(3-chloro-2-hydroxypropyl)-5-oxo-2H-triazol-3-ium-4-carboxamide Traditional Name: N,1-dibenzyl-3-(3-chloro-2-hydroxy-propyl)-5-keto-2H-triazol-3-ium-4-carboxamide Formula: C20H22ClN4O3+ MolecularWeight: 401.86668

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=O)C2=[N+](NN(C2=O)CC3=CC=CC=C3)CC(CCl)O

Isomeric SMILES

C1=CC=C(C=C1)CNC(=O)C2=[N+](NN(C2=O)CC3=CC=CC=C3)CC(CCl)O

InChI

InChI=1S/C20H21ClN4O3/c21-11-17(26)14-24-18(19(27)22-12-15-7-3-1-4-8-15)20(28)25(23-24)13-16-9-5-2-6-10-16/h1-10,17,26H,11-14H2,(H-,22,23,27,28)/p+1