4-(2,3-dihydroindol-1-yl)-3-imidazol-1-yl-4-oxidanylidene-N-(pyridin-1-ium-3-ylmethyl)butanamide

Systemtic Name: 4-(2,3-dihydroindol-1-yl)-3-imidazol-1-yl-4-oxidanylidene-N-(pyridin-1-ium-3-ylmethyl)butanamide Openeye Name: 3-imidazol-1-yl-4-indolin-1-yl-4-oxo-N-(pyridin-1-ium-3-ylmethyl)butanamide CAS Name: 4-(2,3-dihydroindol-1-yl)-3-(1-imidazolyl)-4-oxo-N-(3-pyridin-1-iumylmethyl)butanamide IUPAC Name: 4-(2,3-dihydroindol-1-yl)-3-imidazol-1-yl-4-oxo-N-(pyridin-1-ium-3-ylmethyl)butanamide Traditional Name: 3-imidazol-1-yl-4-indolin-1-yl-4-keto-N-(pyridin-1-ium-3-ylmethyl)butyramide Formula: C21H22N5O2+ MolecularWeight: 376.43168

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C2=CC=CC=C21)C(=O)C(CC(=O)NCC3=C[NH+]=CC=C3)N4C=CN=C4

Isomeric SMILES

C1CN(C2=CC=CC=C21)C(=O)C(CC(=O)NCC3=C[NH+]=CC=C3)N4C=CN=C4

InChI

InChI=1S/C21H21N5O2/c27-20(24-14-16-4-3-8-22-13-16)12-19(25-11-9-23-15-25)21(28)26-10-7-17-5-1-2-6-18(17)26/h1-6,8-9,11,13,15,19H,7,10,12,14H2,(H,24,27)/p+1