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

Systemtic Name: 4-fluoranyl-N-[(2S)-3-methyl-1-oxidanylidene-1-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]butan-2-yl]benzamide Openeye Name: 4-fluoro-N-[(1S)-2-methyl-1-[4-(4-pyridylmethyl)piperazin-4-ium-1-carbonyl]propyl]benzamide CAS Name: 4-fluoro-N-[(2S)-3-methyl-1-oxo-1-[4-(pyridin-4-ylmethyl)-1-piperazin-4-iumyl]butan-2-yl]benzamide IUPAC Name: 4-fluoro-N-[(2S)-3-methyl-1-oxo-1-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]butan-2-yl]benzamide Traditional Name: 4-fluoro-N-[(1S)-2-methyl-1-[4-(4-pyridylmethyl)piperazin-4-ium-1-carbonyl]propyl]benzamide Formula: C22H28FN4O2+ MolecularWeight: 399.481723

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27FN4O2/c1-16(2)20(25-21(28)18-3-5-19(23)6-4-18)22(29)27-13-11-26(12-14-27)15-17-7-9-24-10-8-17/h3-10,16,20H,11-15H2,1-2H3,(H,25,28)/p+1/t20-/m0/s1