4-fluoranyl-N-[(2S)-1-[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]-3-methyl-1-oxidanylidene-butan-2-yl]benzamide

Systemtic Name: 4-fluoranyl-N-[(2S)-1-[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]-3-methyl-1-oxidanylidene-butan-2-yl]benzamide Openeye Name: 4-fluoro-N-[(1S)-1-[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-carbonyl]-2-methyl-propyl]benzamide CAS Name: 4-fluoro-N-[(2S)-1-[4-[(4-methoxyphenyl)methyl]-1-piperazin-4-iumyl]-3-methyl-1-oxobutan-2-yl]benzamide IUPAC Name: 4-fluoro-N-[(2S)-1-[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]-3-methyl-1-oxobutan-2-yl]benzamide Traditional Name: 4-fluoro-N-[(1S)-2-methyl-1-(4-p-anisylpiperazin-4-ium-1-carbonyl)propyl]benzamide Formula: C24H31FN3O3+ MolecularWeight: 428.519643

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)N1CC[NH+](CC1)CC2=CC=C(C=C2)OC)NC(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CC(C)[C@@H](C(=O)N1CC[NH+](CC1)CC2=CC=C(C=C2)OC)NC(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C24H30FN3O3/c1-17(2)22(26-23(29)19-6-8-20(25)9-7-19)24(30)28-14-12-27(13-15-28)16-18-4-10-21(31-3)11-5-18/h4-11,17,22H,12-16H2,1-3H3,(H,26,29)/p+1/t22-/m0/s1