[2-[(3-azanyl-4-fluoranyl-phenyl)amino]-2-oxidanylidene-ethyl]-methyl-propan-2-yl-azanium

Systemtic Name: [2-[(3-azanyl-4-fluoranyl-phenyl)amino]-2-oxidanylidene-ethyl]-methyl-propan-2-yl-azanium Openeye Name: [2-(3-amino-4-fluoro-anilino)-2-oxo-ethyl]-isopropyl-methyl-ammonium CAS Name: [2-(3-amino-4-fluoroanilino)-2-oxoethyl]-methyl-propan-2-ylammonium IUPAC Name: [2-(3-amino-4-fluoroanilino)-2-oxoethyl]-methyl-propan-2-ylazanium Traditional Name: [2-(3-amino-4-fluoro-anilino)-2-keto-ethyl]-isopropyl-methyl-ammonium Formula: C12H19FN3O+ MolecularWeight: 240.297163

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H18FN3O/c1-8(2)16(3)7-12(17)15-9-4-5-10(13)11(14)6-9/h4-6,8H,7,14H2,1-3H3,(H,15,17)/p+1