5-ethylsulfonyl-3-[(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)methyl]-1,3-benzoxazole-2-thione

Systemtic Name: 5-ethylsulfonyl-3-[(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)methyl]-1,3-benzoxazole-2-thione Openeye Name: 5-ethylsulfonyl-3-[(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)methyl]-1,3-benzoxazole-2-thione CAS Name: 5-ethylsulfonyl-3-[(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)methyl]-1,3-benzoxazole-2-thione IUPAC Name: 5-ethylsulfonyl-3-[(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)methyl]-1,3-benzoxazole-2-thione Traditional Name: 5-esyl-3-[(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)methyl]-1,3-benzoxazole-2-thione Formula: C21H23N2O3S2+ MolecularWeight: 415.54892

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=CC2=C(C=C1)OC(=S)N2C[NH+]3CCC(=CC3)C4=CC=CC=C4

Isomeric SMILES

CCS(=O)(=O)C1=CC2=C(C=C1)OC(=S)N2C[NH+]3CCC(=CC3)C4=CC=CC=C4

InChI

InChI=1S/C21H22N2O3S2/c1-2-28(24,25)18-8-9-20-19(14-18)23(21(27)26-20)15-22-12-10-17(11-13-22)16-6-4-3-5-7-16/h3-10,14H,2,11-13,15H2,1H3/p+1