2-(1,2-benzoxazol-3-yl)-1-[4-[(5-fluoranyl-2-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]ethanone

Systemtic Name: 2-(1,2-benzoxazol-3-yl)-1-[4-[(5-fluoranyl-2-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]ethanone Openeye Name: 2-(1,2-benzoxazol-3-yl)-1-[4-[(5-fluoro-2-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]ethanone CAS Name: 2-(1,2-benzoxazol-3-yl)-1-[4-[(5-fluoro-2-methoxyphenyl)methyl]-1-piperazin-4-iumyl]ethanone IUPAC Name: 2-(1,2-benzoxazol-3-yl)-1-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-4-ium-1-yl]ethanone Traditional Name: 1-[4-(5-fluoro-2-methoxy-benzyl)piperazin-4-ium-1-yl]-2-indoxazen-3-yl-ethanone Formula: C21H23FN3O3+ MolecularWeight: 384.424023

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)F)C[NH+]2CCN(CC2)C(=O)CC3=NOC4=CC=CC=C43

Isomeric SMILES

COC1=C(C=C(C=C1)F)C[NH+]2CCN(CC2)C(=O)CC3=NOC4=CC=CC=C43

InChI

InChI=1S/C21H22FN3O3/c1-27-19-7-6-16(22)12-15(19)14-24-8-10-25(11-9-24)21(26)13-18-17-4-2-3-5-20(17)28-23-18/h2-7,12H,8-11,13-14H2,1H3/p+1