4-bromanyl-N-[3-[4-[(3-fluoranyl-4-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]-3-oxidanylidene-propyl]benzamide

Systemtic Name: 4-bromanyl-N-[3-[4-[(3-fluoranyl-4-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]-3-oxidanylidene-propyl]benzamide Openeye Name: 4-bromo-N-[3-[4-[(3-fluoro-4-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]-3-oxo-propyl]benzamide CAS Name: 4-bromo-N-[3-[4-[(3-fluoro-4-methoxyphenyl)methyl]-1-piperazin-4-iumyl]-3-oxopropyl]benzamide IUPAC Name: 4-bromo-N-[3-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]-3-oxopropyl]benzamide Traditional Name: 4-bromo-N-[3-[4-(3-fluoro-4-methoxy-benzyl)piperazin-4-ium-1-yl]-3-keto-propyl]benzamide Formula: C22H26BrFN3O3+ MolecularWeight: 479.362543

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C[NH+]2CCN(CC2)C(=O)CCNC(=O)C3=CC=C(C=C3)Br)F

Isomeric SMILES

COC1=C(C=C(C=C1)C[NH+]2CCN(CC2)C(=O)CCNC(=O)C3=CC=C(C=C3)Br)F

InChI

InChI=1S/C22H25BrFN3O3/c1-30-20-7-2-16(14-19(20)24)15-26-10-12-27(13-11-26)21(28)8-9-25-22(29)17-3-5-18(23)6-4-17/h2-7,14H,8-13,15H2,1H3,(H,25,29)/p+1