N-[(4S)-2,2-dimethyloxan-4-yl]-6-(4-methoxyphenyl)-2-thiomorpholin-4-yl-pyridin-1-ium-3-carboxamide

Systemtic Name: N-[(4S)-2,2-dimethyloxan-4-yl]-6-(4-methoxyphenyl)-2-thiomorpholin-4-yl-pyridin-1-ium-3-carboxamide Openeye Name: N-[(4S)-2,2-dimethyltetrahydropyran-4-yl]-6-(4-methoxyphenyl)-2-thiomorpholino-pyridin-1-ium-3-carboxamide CAS Name: N-[(4S)-2,2-dimethyl-4-oxanyl]-6-(4-methoxyphenyl)-2-thiomorpholin-4-yl-3-pyridin-1-iumcarboxamide IUPAC Name: N-[(4S)-2,2-dimethyloxan-4-yl]-6-(4-methoxyphenyl)-2-thiomorpholin-4-ylpyridin-1-ium-3-carboxamide Traditional Name: N-[(4S)-2,2-dimethyltetrahydropyran-4-yl]-6-(4-methoxyphenyl)-2-thiomorpholino-pyridin-1-ium-3-carboxamide Formula: C24H32N3O3S+ MolecularWeight: 442.59418

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(CCO1)NC(=O)C2=C([NH+]=C(C=C2)C3=CC=C(C=C3)OC)N4CCSCC4)C

Isomeric SMILES

CC1(C[C@H](CCO1)NC(=O)C2=C([NH+]=C(C=C2)C3=CC=C(C=C3)OC)N4CCSCC4)C

InChI

InChI=1S/C24H31N3O3S/c1-24(2)16-18(10-13-30-24)25-23(28)20-8-9-21(17-4-6-19(29-3)7-5-17)26-22(20)27-11-14-31-15-12-27/h4-9,18H,10-16H2,1-3H3,(H,25,28)/p+1/t18-/m0/s1