1-methyl-1-[4-[(2S,4R)-2-methyl-4-oxidanyl-oxan-4-yl]thiophen-2-yl]sulfanyl-quinolin-1-ium-2-one

Systemtic Name: 1-methyl-1-[4-[(2S,4R)-2-methyl-4-oxidanyl-oxan-4-yl]thiophen-2-yl]sulfanyl-quinolin-1-ium-2-one Openeye Name: 1-[[4-[(2S,4R)-4-hydroxy-2-methyl-tetrahydropyran-4-yl]-2-thienyl]sulfanyl]-1-methyl-quinolin-1-ium-2-one CAS Name: 1-[[4-[(2S,4R)-4-hydroxy-2-methyl-4-oxanyl]-2-thiophenyl]thio]-1-methyl-2-quinolin-1-iumone IUPAC Name: 1-[4-[(2S,4R)-4-hydroxy-2-methyloxan-4-yl]thiophen-2-yl]sulfanyl-1-methylquinolin-1-ium-2-one Traditional Name: 1-[[4-[(2S,4R)-4-hydroxy-2-methyl-tetrahydropyran-4-yl]-2-thienyl]thio]-1-methyl-quinolin-1-ium-2-one Formula: C20H22NO3S2+ MolecularWeight: 388.52358

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CCO1)(C2=CSC(=C2)S[N+]3(C(=O)C=CC4=CC=CC=C43)C)O

Isomeric SMILES

C[C@H]1C[C@](CCO1)(C2=CSC(=C2)S[N+]3(C(=O)C=CC4=CC=CC=C43)C)O

InChI

InChI=1S/C20H22NO3S2/c1-14-12-20(23,9-10-24-14)16-11-19(25-13-16)26-21(2)17-6-4-3-5-15(17)7-8-18(21)22/h3-8,11,13-14,23H,9-10,12H2,1-2H3/q+1/t14-,20+,21?/m0/s1