N'-tert-butyl-N-[(2S)-2-(4-fluorophenyl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]ethanediamide

Systemtic Name: N'-tert-butyl-N-[(2S)-2-(4-fluorophenyl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]ethanediamide Openeye Name: N'-tert-butyl-N-[(2S)-2-(4-fluorophenyl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]oxamide CAS Name: N'-tert-butyl-N-[(2S)-2-(4-fluorophenyl)-2-(4-methyl-1-piperazin-4-iumyl)ethyl]oxamide IUPAC Name: N'-tert-butyl-N-[(2S)-2-(4-fluorophenyl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]oxamide Traditional Name: N'-tert-butyl-N-[(2S)-2-(4-fluorophenyl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]oxamide Formula: C19H30FN4O2+ MolecularWeight: 365.465503

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C(=O)NCC(C1=CC=C(C=C1)F)N2CC[NH+](CC2)C

Isomeric SMILES

CC(C)(C)NC(=O)C(=O)NC[C@H](C1=CC=C(C=C1)F)N2CC[NH+](CC2)C

InChI

InChI=1S/C19H29FN4O2/c1-19(2,3)22-18(26)17(25)21-13-16(14-5-7-15(20)8-6-14)24-11-9-23(4)10-12-24/h5-8,16H,9-13H2,1-4H3,(H,21,25)(H,22,26)/p+1/t16-/m1/s1