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

Systemtic Name: [4-[(2-azanyl-4-fluoranyl-phenyl)amino]-4-oxidanylidene-butyl]-methyl-propan-2-yl-azanium Openeye Name: [4-(2-amino-4-fluoro-anilino)-4-oxo-butyl]-isopropyl-methyl-ammonium CAS Name: [4-(2-amino-4-fluoroanilino)-4-oxobutyl]-methyl-propan-2-ylammonium IUPAC Name: [4-(2-amino-4-fluoroanilino)-4-oxobutyl]-methyl-propan-2-ylazanium Traditional Name: [4-(2-amino-4-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=C(C=C1)F)N

Isomeric SMILES

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

InChI

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