azepan-1-yl-[(3R)-1-[(4-methylsulfanylphenyl)methyl]piperidin-1-ium-3-yl]methanone

Systemtic Name: azepan-1-yl-[(3R)-1-[(4-methylsulfanylphenyl)methyl]piperidin-1-ium-3-yl]methanone Openeye Name: azepan-1-yl-[(3R)-1-[(4-methylsulfanylphenyl)methyl]piperidin-1-ium-3-yl]methanone CAS Name: 1-azepanyl-[(3R)-1-[[4-(methylthio)phenyl]methyl]-3-piperidin-1-iumyl]methanone IUPAC Name: azepan-1-yl-[(3R)-1-[(4-methylsulfanylphenyl)methyl]piperidin-1-ium-3-yl]methanone Traditional Name: azepan-1-yl-[(3R)-1-[4-(methylthio)benzyl]piperidin-1-ium-3-yl]methanone Formula: C20H31N2OS+ MolecularWeight: 347.53794

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C[NH+]2CCCC(C2)C(=O)N3CCCCCC3

Isomeric SMILES

CSC1=CC=C(C=C1)C[NH+]2CCC[C@H](C2)C(=O)N3CCCCCC3

InChI

InChI=1S/C20H30N2OS/c1-24-19-10-8-17(9-11-19)15-21-12-6-7-18(16-21)20(23)22-13-4-2-3-5-14-22/h8-11,18H,2-7,12-16H2,1H3/p+1/t18-/m1/s1