1-[(4-methoxyphenyl)methylsulfanyl]-2,3-dihydro-1H-indolizin-4-ium; 4-methylbenzenesulfonate

Systemtic Name: 1-[(4-methoxyphenyl)methylsulfanyl]-2,3-dihydro-1H-indolizin-4-ium; 4-methylbenzenesulfonate Openeye Name: 1-[(4-methoxyphenyl)methylsulfanyl]-2,3-dihydro-1H-indolizin-4-ium; 4-methylbenzenesulfonate CAS Name: 1-[(4-methoxyphenyl)methylthio]-2,3-dihydro-1H-indolizin-4-ium; 4-methylbenzenesulfonate IUPAC Name: 1-[(4-methoxyphenyl)methylsulfanyl]-2,3-dihydro-1H-indolizin-4-ium; 4-methylbenzenesulfonate Traditional Name: 1-(p-anisylthio)-2,3-dihydro-1H-indolizin-4-ium tosylate Formula: C23H25NO4S2 MolecularWeight: 443.5789

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].COC1=CC=C(C=C1)CSC2CC[N+]3=CC=CC=C23

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].COC1=CC=C(C=C1)CSC2CC[N+]3=CC=CC=C23

InChI

InChI=1S/C16H18NOS.C7H8O3S/c1-18-14-7-5-13(6-8-14)12-19-16-9-11-17-10-3-2-4-15(16)17;1-6-2-4-7(5-3-6)11(8,9)10/h2-8,10,16H,9,11-12H2,1H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1