2-[(4-fluorophenyl)methylcarbamoylamino]-N-[2-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]ethanamide

Systemtic Name: 2-[(4-fluorophenyl)methylcarbamoylamino]-N-[2-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]ethanamide Openeye Name: 2-[(4-fluorophenyl)methylcarbamoylamino]-N-[2-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]acetamide CAS Name: 2-[[[(4-fluorophenyl)methylamino]-oxomethyl]amino]-N-[2-methyl-4-(4-methyl-1-piperazin-4-iumyl)phenyl]acetamide IUPAC Name: 2-[(4-fluorophenyl)methylcarbamoylamino]-N-[2-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]acetamide Traditional Name: 2-[(4-fluorobenzyl)carbamoylamino]-N-[2-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]acetamide Formula: C22H29FN5O2+ MolecularWeight: 414.496363

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N2CC[NH+](CC2)C)NC(=O)CNC(=O)NCC3=CC=C(C=C3)F

Isomeric SMILES

CC1=C(C=CC(=C1)N2CC[NH+](CC2)C)NC(=O)CNC(=O)NCC3=CC=C(C=C3)F

InChI

InChI=1S/C22H28FN5O2/c1-16-13-19(28-11-9-27(2)10-12-28)7-8-20(16)26-21(29)15-25-22(30)24-14-17-3-5-18(23)6-4-17/h3-8,13H,9-12,14-15H2,1-2H3,(H,26,29)(H2,24,25,30)/p+1