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

Systemtic Name: N-cyclopropyl-2-[2-[4-[(5-fluoranyl-2-methoxy-phenyl)methyl]piperazin-1-ium-1-yl]ethanoylamino]benzamide Openeye Name: N-cyclopropyl-2-[[2-[4-[(5-fluoro-2-methoxy-phenyl)methyl]piperazin-1-ium-1-yl]acetyl]amino]benzamide CAS Name: N-cyclopropyl-2-[[2-[4-[(5-fluoro-2-methoxyphenyl)methyl]-1-piperazin-1-iumyl]-1-oxoethyl]amino]benzamide IUPAC Name: N-cyclopropyl-2-[[2-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-ium-1-yl]acetyl]amino]benzamide Traditional Name: N-cyclopropyl-2-[[2-[4-(5-fluoro-2-methoxy-benzyl)piperazin-1-ium-1-yl]acetyl]amino]benzamide Formula: C24H30FN4O3+ MolecularWeight: 441.518403

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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)NC4CC4

Isomeric SMILES

COC1=C(C=C(C=C1)F)CN2CC[NH+](CC2)CC(=O)NC3=CC=CC=C3C(=O)NC4CC4

InChI

InChI=1S/C24H29FN4O3/c1-32-22-9-6-18(25)14-17(22)15-28-10-12-29(13-11-28)16-23(30)27-21-5-3-2-4-20(21)24(31)26-19-7-8-19/h2-6,9,14,19H,7-8,10-13,15-16H2,1H3,(H,26,31)(H,27,30)/p+1