(5S)-1-(cyclohexylmethyl)-5-thiomorpholin-4-ium-4-yl-azepan-2-one

Systemtic Name: (5S)-1-(cyclohexylmethyl)-5-thiomorpholin-4-ium-4-yl-azepan-2-one Openeye Name: (5S)-1-(cyclohexylmethyl)-5-thiomorpholin-4-ium-4-yl-azepan-2-one CAS Name: (5S)-1-(cyclohexylmethyl)-5-(4-thiomorpholin-4-iumyl)-2-azepanone IUPAC Name: (5S)-1-(cyclohexylmethyl)-5-thiomorpholin-4-ium-4-ylazepan-2-one Traditional Name: (5S)-1-(cyclohexylmethyl)-5-thiomorpholin-4-ium-4-yl-azepan-2-one Formula: C17H31N2OS+ MolecularWeight: 311.50584

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CN2CCC(CCC2=O)[NH+]3CCSCC3

Isomeric SMILES

C1CCC(CC1)CN2CC[C@H](CCC2=O)[NH+]3CCSCC3

InChI

InChI=1S/C17H30N2OS/c20-17-7-6-16(18-10-12-21-13-11-18)8-9-19(17)14-15-4-2-1-3-5-15/h15-16H,1-14H2/p+1/t16-/m0/s1