(5R)-1-[(4-methylphenyl)methyl]-5-thiomorpholin-4-ium-4-yl-azepan-2-one

Systemtic Name: (5R)-1-[(4-methylphenyl)methyl]-5-thiomorpholin-4-ium-4-yl-azepan-2-one Openeye Name: (5R)-1-(p-tolylmethyl)-5-thiomorpholin-4-ium-4-yl-azepan-2-one CAS Name: (5R)-1-[(4-methylphenyl)methyl]-5-(4-thiomorpholin-4-iumyl)-2-azepanone IUPAC Name: (5R)-1-[(4-methylphenyl)methyl]-5-thiomorpholin-4-ium-4-ylazepan-2-one Traditional Name: (5R)-1-(4-methylbenzyl)-5-thiomorpholin-4-ium-4-yl-azepan-2-one Formula: C18H27N2OS+ MolecularWeight: 319.48478

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2CCC(CCC2=O)[NH+]3CCSCC3

Isomeric SMILES

CC1=CC=C(C=C1)CN2CC[C@@H](CCC2=O)[NH+]3CCSCC3

InChI

InChI=1S/C18H26N2OS/c1-15-2-4-16(5-3-15)14-20-9-8-17(6-7-18(20)21)19-10-12-22-13-11-19/h2-5,17H,6-14H2,1H3/p+1/t17-/m1/s1