ethyl-[(3-fluoranyl-4-methoxy-phenyl)methyl]-[2-(3-methylbutylcarbamoylamino)-2-oxidanylidene-ethyl]azanium

Systemtic Name: ethyl-[(3-fluoranyl-4-methoxy-phenyl)methyl]-[2-(3-methylbutylcarbamoylamino)-2-oxidanylidene-ethyl]azanium Openeye Name: ethyl-[(3-fluoro-4-methoxy-phenyl)methyl]-[2-(isopentylcarbamoylamino)-2-oxo-ethyl]ammonium CAS Name: ethyl-[(3-fluoro-4-methoxyphenyl)methyl]-[2-[[(3-methylbutylamino)-oxomethyl]amino]-2-oxoethyl]ammonium IUPAC Name: ethyl-[(3-fluoro-4-methoxyphenyl)methyl]-[2-(3-methylbutylcarbamoylamino)-2-oxoethyl]azanium Traditional Name: ethyl-(3-fluoro-4-methoxy-benzyl)-[2-(isoamylcarbamoylamino)-2-keto-ethyl]ammonium Formula: C18H29FN3O3+ MolecularWeight: 354.439563

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H28FN3O3/c1-5-22(11-14-6-7-16(25-4)15(19)10-14)12-17(23)21-18(24)20-9-8-13(2)3/h6-7,10,13H,5,8-9,11-12H2,1-4H3,(H2,20,21,23,24)/p+1