4-[2-(tert-butylamino)-2-oxidanylidene-ethyl]-N-[(3-fluoranyl-4-methyl-phenyl)methyl]-1,4-diazepan-4-ium-1-carboxamide

Systemtic Name: 4-[2-(tert-butylamino)-2-oxidanylidene-ethyl]-N-[(3-fluoranyl-4-methyl-phenyl)methyl]-1,4-diazepan-4-ium-1-carboxamide Openeye Name: 4-[2-(tert-butylamino)-2-oxo-ethyl]-N-[(3-fluoro-4-methyl-phenyl)methyl]-1,4-diazepan-4-ium-1-carboxamide CAS Name: 4-[2-(tert-butylamino)-2-oxoethyl]-N-[(3-fluoro-4-methylphenyl)methyl]-1,4-diazepan-4-ium-1-carboxamide IUPAC Name: 4-[2-(tert-butylamino)-2-oxoethyl]-N-[(3-fluoro-4-methylphenyl)methyl]-1,4-diazepan-4-ium-1-carboxamide Traditional Name: 4-[2-(tert-butylamino)-2-keto-ethyl]-N-(3-fluoro-4-methyl-benzyl)-1,4-diazepan-4-ium-1-carboxamide Formula: C20H32FN4O2+ MolecularWeight: 379.492083

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)CNC(=O)N2CCC[NH+](CC2)CC(=O)NC(C)(C)C)F

Isomeric SMILES

CC1=C(C=C(C=C1)CNC(=O)N2CCC[NH+](CC2)CC(=O)NC(C)(C)C)F

InChI

InChI=1S/C20H31FN4O2/c1-15-6-7-16(12-17(15)21)13-22-19(27)25-9-5-8-24(10-11-25)14-18(26)23-20(2,3)4/h6-7,12H,5,8-11,13-14H2,1-4H3,(H,22,27)(H,23,26)/p+1