4-[3-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]propanoylamino]-N-(2-methoxyphenyl)benzamide

Systemtic Name: 4-[3-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]propanoylamino]-N-(2-methoxyphenyl)benzamide Openeye Name: 4-[3-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]propanoylamino]-N-(2-methoxyphenyl)benzamide CAS Name: 4-[[3-[4-(2-fluorophenyl)-1-piperazin-1-iumyl]-1-oxopropyl]amino]-N-(2-methoxyphenyl)benzamide IUPAC Name: 4-[3-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]propanoylamino]-N-(2-methoxyphenyl)benzamide Traditional Name: 4-[3-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]propanoylamino]-N-(2-methoxyphenyl)benzamide Formula: C27H30FN4O3+ MolecularWeight: 477.550503

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1NC(=O)C2=CC=C(C=C2)NC(=O)CC[NH+]3CCN(CC3)C4=CC=CC=C4F

Isomeric SMILES

COC1=CC=CC=C1NC(=O)C2=CC=C(C=C2)NC(=O)CC[NH+]3CCN(CC3)C4=CC=CC=C4F

InChI

InChI=1S/C27H29FN4O3/c1-35-25-9-5-3-7-23(25)30-27(34)20-10-12-21(13-11-20)29-26(33)14-15-31-16-18-32(19-17-31)24-8-4-2-6-22(24)28/h2-13H,14-19H2,1H3,(H,29,33)(H,30,34)/p+1