N-phenyl-2-[4-(2-phenylsulfanylethylcarbamoylamino)piperidin-1-ium-1-yl]ethanamide

Systemtic Name: N-phenyl-2-[4-(2-phenylsulfanylethylcarbamoylamino)piperidin-1-ium-1-yl]ethanamide Openeye Name: N-phenyl-2-[4-(2-phenylsulfanylethylcarbamoylamino)piperidin-1-ium-1-yl]acetamide CAS Name: 2-[4-[[oxo-[2-(phenylthio)ethylamino]methyl]amino]-1-piperidin-1-iumyl]-N-phenylacetamide IUPAC Name: N-phenyl-2-[4-(2-phenylsulfanylethylcarbamoylamino)piperidin-1-ium-1-yl]acetamide Traditional Name: N-phenyl-2-[4-[2-(phenylthio)ethylcarbamoylamino]piperidin-1-ium-1-yl]acetamide Formula: C22H29N4O2S+ MolecularWeight: 413.55626

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1NC(=O)NCCSC2=CC=CC=C2)CC(=O)NC3=CC=CC=C3

Isomeric SMILES

C1C[NH+](CCC1NC(=O)NCCSC2=CC=CC=C2)CC(=O)NC3=CC=CC=C3

InChI

InChI=1S/C22H28N4O2S/c27-21(24-18-7-3-1-4-8-18)17-26-14-11-19(12-15-26)25-22(28)23-13-16-29-20-9-5-2-6-10-20/h1-10,19H,11-17H2,(H,24,27)(H2,23,25,28)/p+1