N-cyclopentyl-2-[2-[4-[(5-fluoranyl-2-methoxy-phenyl)methyl]piperazin-1-ium-1-yl]ethanoylamino]benzamide

Systemtic Name: N-cyclopentyl-2-[2-[4-[(5-fluoranyl-2-methoxy-phenyl)methyl]piperazin-1-ium-1-yl]ethanoylamino]benzamide Openeye Name: N-cyclopentyl-2-[[2-[4-[(5-fluoro-2-methoxy-phenyl)methyl]piperazin-1-ium-1-yl]acetyl]amino]benzamide CAS Name: N-cyclopentyl-2-[[2-[4-[(5-fluoro-2-methoxyphenyl)methyl]-1-piperazin-1-iumyl]-1-oxoethyl]amino]benzamide IUPAC Name: N-cyclopentyl-2-[[2-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-ium-1-yl]acetyl]amino]benzamide Traditional Name: N-cyclopentyl-2-[[2-[4-(5-fluoro-2-methoxy-benzyl)piperazin-1-ium-1-yl]acetyl]amino]benzamide Formula: C26H34FN4O3+ MolecularWeight: 469.571563

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)F)CN2CC[NH+](CC2)CC(=O)NC3=CC=CC=C3C(=O)NC4CCCC4

Isomeric SMILES

COC1=C(C=C(C=C1)F)CN2CC[NH+](CC2)CC(=O)NC3=CC=CC=C3C(=O)NC4CCCC4

InChI

InChI=1S/C26H33FN4O3/c1-34-24-11-10-20(27)16-19(24)17-30-12-14-31(15-13-30)18-25(32)29-23-9-5-4-8-22(23)26(33)28-21-6-2-3-7-21/h4-5,8-11,16,21H,2-3,6-7,12-15,17-18H2,1H3,(H,28,33)(H,29,32)/p+1