4-(2,3-dihydroindol-1-yl)-3-imidazol-1-yl-N-(3-morpholin-4-ium-4-ylpropyl)-4-oxidanylidene-butanamide

Systemtic Name: 4-(2,3-dihydroindol-1-yl)-3-imidazol-1-yl-N-(3-morpholin-4-ium-4-ylpropyl)-4-oxidanylidene-butanamide Openeye Name: 3-imidazol-1-yl-4-indolin-1-yl-N-(3-morpholin-4-ium-4-ylpropyl)-4-oxo-butanamide CAS Name: 4-(2,3-dihydroindol-1-yl)-3-(1-imidazolyl)-N-[3-(4-morpholin-4-iumyl)propyl]-4-oxobutanamide IUPAC Name: 4-(2,3-dihydroindol-1-yl)-3-imidazol-1-yl-N-(3-morpholin-4-ium-4-ylpropyl)-4-oxobutanamide Traditional Name: 3-imidazol-1-yl-4-indolin-1-yl-4-keto-N-(3-morpholin-4-ium-4-ylpropyl)butyramide Formula: C22H30N5O3+ MolecularWeight: 412.5053

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C2=CC=CC=C21)C(=O)C(CC(=O)NCCC[NH+]3CCOCC3)N4C=CN=C4

Isomeric SMILES

C1CN(C2=CC=CC=C21)C(=O)C(CC(=O)NCCC[NH+]3CCOCC3)N4C=CN=C4

InChI

InChI=1S/C22H29N5O3/c28-21(24-7-3-9-25-12-14-30-15-13-25)16-20(26-11-8-23-17-26)22(29)27-10-6-18-4-1-2-5-19(18)27/h1-2,4-5,8,11,17,20H,3,6-7,9-10,12-16H2,(H,24,28)/p+1