N-(4-methylphenyl)-2-[(2R)-1-oxidanylidene-1-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]propan-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(4-methylphenyl)-2-[(2R)-1-oxidanylidene-1-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]propan-2-yl]sulfanyl-ethanamide Openeye Name: 2-[(1R)-1-methyl-2-oxo-2-[4-(4-pyridylmethyl)piperazin-4-ium-1-yl]ethyl]sulfanyl-N-(p-tolyl)acetamide CAS Name: N-(4-methylphenyl)-2-[[(2R)-1-oxo-1-[4-(pyridin-4-ylmethyl)-1-piperazin-4-iumyl]propan-2-yl]thio]acetamide IUPAC Name: N-(4-methylphenyl)-2-[(2R)-1-oxo-1-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]propan-2-yl]sulfanylacetamide Traditional Name: 2-[[(1R)-2-keto-1-methyl-2-[4-(4-pyridylmethyl)piperazin-4-ium-1-yl]ethyl]thio]-N-(p-tolyl)acetamide Formula: C22H29N4O2S+ MolecularWeight: 413.55626

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)CSC(C)C(=O)N2CC[NH+](CC2)CC3=CC=NC=C3

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)CS[C@H](C)C(=O)N2CC[NH+](CC2)CC3=CC=NC=C3

InChI

InChI=1S/C22H28N4O2S/c1-17-3-5-20(6-4-17)24-21(27)16-29-18(2)22(28)26-13-11-25(12-14-26)15-19-7-9-23-10-8-19/h3-10,18H,11-16H2,1-2H3,(H,24,27)/p+1/t18-/m1/s1