N-(phenylmethyl)-4,5-dihydro-1,3-thiazol-3-ium-2-amine; 2-(phenylsulfonyl)ethanoate

Systemtic Name: N-(phenylmethyl)-4,5-dihydro-1,3-thiazol-3-ium-2-amine; 2-(phenylsulfonyl)ethanoate Openeye Name: 2-(benzenesulfonyl)acetate; N-benzyl-4,5-dihydrothiazol-3-ium-2-amine CAS Name: 2-(benzenesulfonyl)acetate; N-(phenylmethyl)-4,5-dihydrothiazol-3-ium-2-amine IUPAC Name: 2-(benzenesulfonyl)acetate; N-benzyl-4,5-dihydro-1,3-thiazol-3-ium-2-amine Traditional Name: benzyl(2-thiazolin-3-ium-2-yl)amine; 2-besylacetate Formula: C18H20N2O4S2 MolecularWeight: 392.4924

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC(=[NH+]1)NCC2=CC=CC=C2.C1=CC=C(C=C1)S(=O)(=O)CC(=O)[O-]

Isomeric SMILES

C1CSC(=[NH+]1)NCC2=CC=CC=C2.C1=CC=C(C=C1)S(=O)(=O)CC(=O)[O-]

InChI

InChI=1S/C10H12N2S.C8H8O4S/c1-2-4-9(5-3-1)8-12-10-11-6-7-13-10;9-8(10)6-13(11,12)7-4-2-1-3-5-7/h1-5H,6-8H2,(H,11,12);1-5H,6H2,(H,9,10)