N-[(3-aminocarbonylphenyl)methyl]-4-[2-[(4-fluorophenyl)amino]-2-oxidanylidene-ethyl]piperazin-4-ium-1-carboxamide

Systemtic Name: N-[(3-aminocarbonylphenyl)methyl]-4-[2-[(4-fluorophenyl)amino]-2-oxidanylidene-ethyl]piperazin-4-ium-1-carboxamide Openeye Name: N-[(3-carbamoylphenyl)methyl]-4-[2-(4-fluoroanilino)-2-oxo-ethyl]piperazin-4-ium-1-carboxamide CAS Name: N-[(3-carbamoylphenyl)methyl]-4-[2-(4-fluoroanilino)-2-oxoethyl]-1-piperazin-4-iumcarboxamide IUPAC Name: N-[(3-carbamoylphenyl)methyl]-4-[2-(4-fluoroanilino)-2-oxoethyl]piperazin-4-ium-1-carboxamide Traditional Name: N-(3-carbamoylbenzyl)-4-[2-(4-fluoroanilino)-2-keto-ethyl]piperazin-4-ium-1-carboxamide Formula: C21H25FN5O3+ MolecularWeight: 414.453303

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=CC=C(C=C2)F)C(=O)NCC3=CC=CC(=C3)C(=O)N

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=CC=C(C=C2)F)C(=O)NCC3=CC=CC(=C3)C(=O)N

InChI

InChI=1S/C21H24FN5O3/c22-17-4-6-18(7-5-17)25-19(28)14-26-8-10-27(11-9-26)21(30)24-13-15-2-1-3-16(12-15)20(23)29/h1-7,12H,8-11,13-14H2,(H2,23,29)(H,24,30)(H,25,28)/p+1