(3S)-4-fluoranyl-3-methyl-7-[2-oxidanylidene-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethoxy]-2,3-dihydroinden-1-one

Systemtic Name: (3S)-4-fluoranyl-3-methyl-7-[2-oxidanylidene-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethoxy]-2,3-dihydroinden-1-one Openeye Name: (3S)-4-fluoro-3-methyl-7-[2-oxo-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethoxy]indan-1-one CAS Name: (3S)-4-fluoro-3-methyl-7-[2-oxo-2-[4-(2-pyridin-1-iumyl)-1-piperazinyl]ethoxy]-2,3-dihydroinden-1-one IUPAC Name: (3S)-4-fluoro-3-methyl-7-[2-oxo-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethoxy]-2,3-dihydroinden-1-one Traditional Name: (3S)-4-fluoro-7-[2-keto-2-(4-pyridin-1-ium-2-ylpiperazino)ethoxy]-3-methyl-indan-1-one Formula: C21H23FN3O3+ MolecularWeight: 384.424023

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=O)C2=C(C=CC(=C12)F)OCC(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

Isomeric SMILES

C[C@H]1CC(=O)C2=C(C=CC(=C12)F)OCC(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C21H22FN3O3/c1-14-12-16(26)21-17(6-5-15(22)20(14)21)28-13-19(27)25-10-8-24(9-11-25)18-4-2-3-7-23-18/h2-7,14H,8-13H2,1H3/p+1/t14-/m0/s1