1-oxidanidyl-3-oxidanyl-N-(3-phenylpropyl)benzimidazol-1-ium-2-carboxamide

Systemtic Name: 1-oxidanidyl-3-oxidanyl-N-(3-phenylpropyl)benzimidazol-1-ium-2-carboxamide Openeye Name: 1-hydroxy-3-oxido-N-(3-phenylpropyl)benzimidazol-3-ium-2-carboxamide CAS Name: 1-hydroxy-3-oxido-N-(3-phenylpropyl)-2-benzimidazol-3-iumcarboxamide IUPAC Name: 1-hydroxy-3-oxido-N-(3-phenylpropyl)benzimidazol-3-ium-2-carboxamide Traditional Name: 1-hydroxy-3-oxido-N-(3-phenylpropyl)benzimidazol-3-ium-2-carboxamide Formula: C17H17N3O3 MolecularWeight: 311.33518

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCNC(=O)C2=[N+](C3=CC=CC=C3N2O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CCCNC(=O)C2=[N+](C3=CC=CC=C3N2O)[O-]

InChI

InChI=1S/C17H17N3O3/c21-16(18-12-6-9-13-7-2-1-3-8-13)17-19(22)14-10-4-5-11-15(14)20(17)23/h1-5,7-8,10-11,22H,6,9,12H2,(H,18,21)