[3-[(5-azanyl-2-fluoranyl-phenyl)amino]-3-oxidanylidene-propyl]-methyl-propan-2-yl-azanium

Systemtic Name: [3-[(5-azanyl-2-fluoranyl-phenyl)amino]-3-oxidanylidene-propyl]-methyl-propan-2-yl-azanium Openeye Name: [3-(5-amino-2-fluoro-anilino)-3-oxo-propyl]-isopropyl-methyl-ammonium CAS Name: [3-(5-amino-2-fluoroanilino)-3-oxopropyl]-methyl-propan-2-ylammonium IUPAC Name: [3-(5-amino-2-fluoroanilino)-3-oxopropyl]-methyl-propan-2-ylazanium Traditional Name: [3-(5-amino-2-fluoro-anilino)-3-keto-propyl]-isopropyl-methyl-ammonium Formula: C13H21FN3O+ MolecularWeight: 254.323743

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+](C)CCC(=O)NC1=C(C=CC(=C1)N)F

Isomeric SMILES

CC(C)[NH+](C)CCC(=O)NC1=C(C=CC(=C1)N)F

InChI

InChI=1S/C13H20FN3O/c1-9(2)17(3)7-6-13(18)16-12-8-10(15)4-5-11(12)14/h4-5,8-9H,6-7,15H2,1-3H3,(H,16,18)/p+1