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

Systemtic Name: 5-ethylsulfonyl-3-[(4-methylpiperidin-1-ium-1-yl)methyl]-1,3-benzoxazole-2-thione Openeye Name: 5-ethylsulfonyl-3-[(4-methylpiperidin-1-ium-1-yl)methyl]-1,3-benzoxazole-2-thione CAS Name: 5-ethylsulfonyl-3-[(4-methyl-1-piperidin-1-iumyl)methyl]-1,3-benzoxazole-2-thione IUPAC Name: 5-ethylsulfonyl-3-[(4-methylpiperidin-1-ium-1-yl)methyl]-1,3-benzoxazole-2-thione Traditional Name: 5-esyl-3-[(4-methylpiperidin-1-ium-1-yl)methyl]-1,3-benzoxazole-2-thione Formula: C16H23N2O3S2+ MolecularWeight: 355.49542

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22N2O3S2/c1-3-23(19,20)13-4-5-15-14(10-13)18(16(22)21-15)11-17-8-6-12(2)7-9-17/h4-5,10,12H,3,6-9,11H2,1-2H3/p+1