5-ethylsulfonyl-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1,3-benzoxazole-2-thione

Systemtic Name: 5-ethylsulfonyl-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1,3-benzoxazole-2-thione Openeye Name: 5-ethylsulfonyl-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1,3-benzoxazole-2-thione CAS Name: 5-ethylsulfonyl-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1,3-benzoxazole-2-thione IUPAC Name: 5-ethylsulfonyl-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1,3-benzoxazole-2-thione Traditional Name: 5-esyl-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1,3-benzoxazole-2-thione Formula: C19H21N2O3S2+ MolecularWeight: 389.51164

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=CC2=C(C=C1)OC(=S)N2C[NH+]3CCC4=CC=CC=C4C3

Isomeric SMILES

CCS(=O)(=O)C1=CC2=C(C=C1)OC(=S)N2C[NH+]3CCC4=CC=CC=C4C3

InChI

InChI=1S/C19H20N2O3S2/c1-2-26(22,23)16-7-8-18-17(11-16)21(19(25)24-18)13-20-10-9-14-5-3-4-6-15(14)12-20/h3-8,11H,2,9-10,12-13H2,1H3/p+1