N-(4-fluorophenyl)-2-[2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]ethanoylamino]ethanamide

Systemtic Name: N-(4-fluorophenyl)-2-[2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]ethanoylamino]ethanamide Openeye Name: N-(4-fluorophenyl)-2-[[2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]acetyl]amino]acetamide CAS Name: N-(4-fluorophenyl)-2-[[2-[4-(3-methoxyphenyl)-1-piperazin-1-iumyl]-1-oxoethyl]amino]acetamide IUPAC Name: N-(4-fluorophenyl)-2-[[2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]acetyl]amino]acetamide Traditional Name: N-(4-fluorophenyl)-2-[[2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]acetyl]amino]acetamide Formula: C21H26FN4O3+ MolecularWeight: 401.454543

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N2CC[NH+](CC2)CC(=O)NCC(=O)NC3=CC=C(C=C3)F

Isomeric SMILES

COC1=CC=CC(=C1)N2CC[NH+](CC2)CC(=O)NCC(=O)NC3=CC=C(C=C3)F

InChI

InChI=1S/C21H25FN4O3/c1-29-19-4-2-3-18(13-19)26-11-9-25(10-12-26)15-21(28)23-14-20(27)24-17-7-5-16(22)6-8-17/h2-8,13H,9-12,14-15H2,1H3,(H,23,28)(H,24,27)/p+1