(3-fluorophenyl)methyl-methyl-[2-(3-methylbutylcarbamoylamino)-2-oxidanylidene-ethyl]azanium

Systemtic Name: (3-fluorophenyl)methyl-methyl-[2-(3-methylbutylcarbamoylamino)-2-oxidanylidene-ethyl]azanium Openeye Name: (3-fluorophenyl)methyl-[2-(isopentylcarbamoylamino)-2-oxo-ethyl]-methyl-ammonium CAS Name: (3-fluorophenyl)methyl-methyl-[2-[[(3-methylbutylamino)-oxomethyl]amino]-2-oxoethyl]ammonium IUPAC Name: (3-fluorophenyl)methyl-methyl-[2-(3-methylbutylcarbamoylamino)-2-oxoethyl]azanium Traditional Name: (3-fluorobenzyl)-[2-(isoamylcarbamoylamino)-2-keto-ethyl]-methyl-ammonium Formula: C16H25FN3O2+ MolecularWeight: 310.387003

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)NC(=O)C[NH+](C)CC1=CC(=CC=C1)F

Isomeric SMILES

CC(C)CCNC(=O)NC(=O)C[NH+](C)CC1=CC(=CC=C1)F

InChI

InChI=1S/C16H24FN3O2/c1-12(2)7-8-18-16(22)19-15(21)11-20(3)10-13-5-4-6-14(17)9-13/h4-6,9,12H,7-8,10-11H2,1-3H3,(H2,18,19,21,22)/p+1