N-[(1-methylpiperidin-1-ium-4-ylidene)amino]-2-[(4-nitrophenyl)methylsulfanyl]ethanamide

Systemtic Name: N-[(1-methylpiperidin-1-ium-4-ylidene)amino]-2-[(4-nitrophenyl)methylsulfanyl]ethanamide Openeye Name: N-[(1-methylpiperidin-1-ium-4-ylidene)amino]-2-[(4-nitrophenyl)methylsulfanyl]acetamide CAS Name: N-[(1-methyl-4-piperidin-1-iumylidene)amino]-2-[(4-nitrophenyl)methylthio]acetamide IUPAC Name: N-[(1-methylpiperidin-1-ium-4-ylidene)amino]-2-[(4-nitrophenyl)methylsulfanyl]acetamide Traditional Name: N-[(1-methylpiperidin-1-ium-4-ylidene)amino]-2-[(4-nitrobenzyl)thio]acetamide Formula: C15H21N4O3S+ MolecularWeight: 337.41724

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(=NNC(=O)CSCC2=CC=C(C=C2)[N+](=O)[O-])CC1

Isomeric SMILES

C[NH+]1CCC(=NNC(=O)CSCC2=CC=C(C=C2)[N+](=O)[O-])CC1

InChI

InChI=1S/C15H20N4O3S/c1-18-8-6-13(7-9-18)16-17-15(20)11-23-10-12-2-4-14(5-3-12)19(21)22/h2-5H,6-11H2,1H3,(H,17,20)/p+1