3-[4-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxidanylidene-ethyl]piperazin-4-ium-1-yl]-N-(2-methylsulfanylphenyl)propanamide

Systemtic Name: 3-[4-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxidanylidene-ethyl]piperazin-4-ium-1-yl]-N-(2-methylsulfanylphenyl)propanamide Openeye Name: 3-[4-[2-[(2R)-2-methyl-1-piperidyl]-2-oxo-ethyl]piperazin-4-ium-1-yl]-N-(2-methylsulfanylphenyl)propanamide CAS Name: 3-[4-[2-[(2R)-2-methyl-1-piperidinyl]-2-oxoethyl]-1-piperazin-4-iumyl]-N-[2-(methylthio)phenyl]propanamide IUPAC Name: 3-[4-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]piperazin-4-ium-1-yl]-N-(2-methylsulfanylphenyl)propanamide Traditional Name: 3-[4-[2-keto-2-[(2R)-2-methylpiperidino]ethyl]piperazin-4-ium-1-yl]-N-[2-(methylthio)phenyl]propionamide Formula: C22H35N4O2S+ MolecularWeight: 419.6039

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1C(=O)C[NH+]2CCN(CC2)CCC(=O)NC3=CC=CC=C3SC

Isomeric SMILES

C[C@@H]1CCCCN1C(=O)C[NH+]2CCN(CC2)CCC(=O)NC3=CC=CC=C3SC

InChI

InChI=1S/C22H34N4O2S/c1-18-7-5-6-11-26(18)22(28)17-25-15-13-24(14-16-25)12-10-21(27)23-19-8-3-4-9-20(19)29-2/h3-4,8-9,18H,5-7,10-17H2,1-2H3,(H,23,27)/p+1/t18-/m1/s1