(2-cyclohexyl-1,3-benzoxazol-6-yl)-(4-thiomorpholin-4-ium-4-ylpiperidin-1-yl)methanone

Systemtic Name: (2-cyclohexyl-1,3-benzoxazol-6-yl)-(4-thiomorpholin-4-ium-4-ylpiperidin-1-yl)methanone Openeye Name: (2-cyclohexyl-1,3-benzoxazol-6-yl)-(4-thiomorpholin-4-ium-4-yl-1-piperidyl)methanone CAS Name: (2-cyclohexyl-1,3-benzoxazol-6-yl)-[4-(4-thiomorpholin-4-iumyl)-1-piperidinyl]methanone IUPAC Name: (2-cyclohexyl-1,3-benzoxazol-6-yl)-(4-thiomorpholin-4-ium-4-ylpiperidin-1-yl)methanone Traditional Name: (2-cyclohexyl-1,3-benzoxazol-6-yl)-(4-thiomorpholin-4-ium-4-ylpiperidino)methanone Formula: C23H32N3O2S+ MolecularWeight: 414.58408

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=NC3=C(O2)C=C(C=C3)C(=O)N4CCC(CC4)[NH+]5CCSCC5

Isomeric SMILES

C1CCC(CC1)C2=NC3=C(O2)C=C(C=C3)C(=O)N4CCC(CC4)[NH+]5CCSCC5

InChI

InChI=1S/C23H31N3O2S/c27-23(26-10-8-19(9-11-26)25-12-14-29-15-13-25)18-6-7-20-21(16-18)28-22(24-20)17-4-2-1-3-5-17/h6-7,16-17,19H,1-5,8-15H2/p+1