3-[[(2S)-2-ethylpiperidin-1-ium-1-yl]methyl]-5-morpholin-4-ylsulfonyl-1,3-benzoxazole-2-thione

Systemtic Name: 3-[[(2S)-2-ethylpiperidin-1-ium-1-yl]methyl]-5-morpholin-4-ylsulfonyl-1,3-benzoxazole-2-thione Openeye Name: 3-[[(2S)-2-ethylpiperidin-1-ium-1-yl]methyl]-5-morpholinosulfonyl-1,3-benzoxazole-2-thione CAS Name: 3-[[(2S)-2-ethyl-1-piperidin-1-iumyl]methyl]-5-(4-morpholinylsulfonyl)-1,3-benzoxazole-2-thione IUPAC Name: 3-[[(2S)-2-ethylpiperidin-1-ium-1-yl]methyl]-5-morpholin-4-ylsulfonyl-1,3-benzoxazole-2-thione Traditional Name: 3-[[(2S)-2-ethylpiperidin-1-ium-1-yl]methyl]-5-morpholinosulfonyl-1,3-benzoxazole-2-thione Formula: C19H28N3O4S2+ MolecularWeight: 426.57332

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCC[NH+]1CN2C3=C(C=CC(=C3)S(=O)(=O)N4CCOCC4)OC2=S

Isomeric SMILES

CC[C@H]1CCCC[NH+]1CN2C3=C(C=CC(=C3)S(=O)(=O)N4CCOCC4)OC2=S

InChI

InChI=1S/C19H27N3O4S2/c1-2-15-5-3-4-8-20(15)14-22-17-13-16(6-7-18(17)26-19(22)27)28(23,24)21-9-11-25-12-10-21/h6-7,13,15H,2-5,8-12,14H2,1H3/p+1/t15-/m0/s1