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

Systemtic Name: N-[(2R)-4-methylsulfanyl-1-oxidanylidene-1-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]butan-2-yl]benzamide Openeye Name: N-[(1R)-3-methylsulfanyl-1-[4-(4-pyridylmethyl)piperazin-4-ium-1-carbonyl]propyl]benzamide CAS Name: N-[(2R)-4-(methylthio)-1-oxo-1-[4-(pyridin-4-ylmethyl)-1-piperazin-4-iumyl]butan-2-yl]benzamide IUPAC Name: N-[(2R)-4-methylsulfanyl-1-oxo-1-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]butan-2-yl]benzamide Traditional Name: N-[(1R)-3-(methylthio)-1-[4-(4-pyridylmethyl)piperazin-4-ium-1-carbonyl]propyl]benzamide Formula: C22H29N4O2S+ MolecularWeight: 413.55626

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N4O2S/c1-29-16-9-20(24-21(27)19-5-3-2-4-6-19)22(28)26-14-12-25(13-15-26)17-18-7-10-23-11-8-18/h2-8,10-11,20H,9,12-17H2,1H3,(H,24,27)/p+1/t20-/m1/s1