[4-[(5-azanyl-2-fluoranyl-phenyl)amino]-4-oxidanylidene-butyl]-methyl-propan-2-yl-azanium

Systemtic Name: [4-[(5-azanyl-2-fluoranyl-phenyl)amino]-4-oxidanylidene-butyl]-methyl-propan-2-yl-azanium Openeye Name: [4-(5-amino-2-fluoro-anilino)-4-oxo-butyl]-isopropyl-methyl-ammonium CAS Name: [4-(5-amino-2-fluoroanilino)-4-oxobutyl]-methyl-propan-2-ylammonium IUPAC Name: [4-(5-amino-2-fluoroanilino)-4-oxobutyl]-methyl-propan-2-ylazanium Traditional Name: [4-(5-amino-2-fluoro-anilino)-4-keto-butyl]-isopropyl-methyl-ammonium Formula: C14H23FN3O+ MolecularWeight: 268.350323

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H22FN3O/c1-10(2)18(3)8-4-5-14(19)17-13-9-11(16)6-7-12(13)15/h6-7,9-10H,4-5,8,16H2,1-3H3,(H,17,19)/p+1