N-[(2R)-4-methylsulfanyl-1-oxidanylidene-1-(4-pyridin-1-ium-4-ylpiperazin-1-yl)butan-2-yl]benzamide

Systemtic Name: N-[(2R)-4-methylsulfanyl-1-oxidanylidene-1-(4-pyridin-1-ium-4-ylpiperazin-1-yl)butan-2-yl]benzamide Openeye Name: N-[(1R)-3-methylsulfanyl-1-(4-pyridin-1-ium-4-ylpiperazine-1-carbonyl)propyl]benzamide CAS Name: N-[(2R)-4-(methylthio)-1-oxo-1-[4-(4-pyridin-1-iumyl)-1-piperazinyl]butan-2-yl]benzamide IUPAC Name: N-[(2R)-4-methylsulfanyl-1-oxo-1-(4-pyridin-1-ium-4-ylpiperazin-1-yl)butan-2-yl]benzamide Traditional Name: N-[(1R)-3-(methylthio)-1-(4-pyridin-1-ium-4-ylpiperazine-1-carbonyl)propyl]benzamide Formula: C21H27N4O2S+ MolecularWeight: 399.52968

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)N1CCN(CC1)C2=CC=[NH+]C=C2)NC(=O)C3=CC=CC=C3

Isomeric SMILES

CSCC[C@H](C(=O)N1CCN(CC1)C2=CC=[NH+]C=C2)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H26N4O2S/c1-28-16-9-19(23-20(26)17-5-3-2-4-6-17)21(27)25-14-12-24(13-15-25)18-7-10-22-11-8-18/h2-8,10-11,19H,9,12-16H2,1H3,(H,23,26)/p+1/t19-/m1/s1