N-[3-[4-[(5-fluoranyl-2-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]-3-oxidanylidene-propyl]-2-methyl-benzamide

Systemtic Name: N-[3-[4-[(5-fluoranyl-2-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]-3-oxidanylidene-propyl]-2-methyl-benzamide Openeye Name: N-[3-[4-[(5-fluoro-2-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]-3-oxo-propyl]-2-methyl-benzamide CAS Name: N-[3-[4-[(5-fluoro-2-methoxyphenyl)methyl]-1-piperazin-4-iumyl]-3-oxopropyl]-2-methylbenzamide IUPAC Name: N-[3-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-4-ium-1-yl]-3-oxopropyl]-2-methylbenzamide Traditional Name: N-[3-[4-(5-fluoro-2-methoxy-benzyl)piperazin-4-ium-1-yl]-3-keto-propyl]-2-methyl-benzamide Formula: C23H29FN3O3+ MolecularWeight: 414.493063

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NCCC(=O)N2CC[NH+](CC2)CC3=C(C=CC(=C3)F)OC

Isomeric SMILES

CC1=CC=CC=C1C(=O)NCCC(=O)N2CC[NH+](CC2)CC3=C(C=CC(=C3)F)OC

InChI

InChI=1S/C23H28FN3O3/c1-17-5-3-4-6-20(17)23(29)25-10-9-22(28)27-13-11-26(12-14-27)16-18-15-19(24)7-8-21(18)30-2/h3-8,15H,9-14,16H2,1-2H3,(H,25,29)/p+1