(4-tert-butyl-2-methyl-phenyl) 2-morpholin-4-ium-4-yl-N-(phenylmethyl)ethanimidothioate

Systemtic Name: (4-tert-butyl-2-methyl-phenyl) 2-morpholin-4-ium-4-yl-N-(phenylmethyl)ethanimidothioate Openeye Name: (4-tert-butyl-2-methyl-phenyl) N-benzyl-2-morpholin-4-ium-4-yl-ethanimidothioate CAS Name: 2-(4-morpholin-4-iumyl)-N-(phenylmethyl)ethanimidothioic acid (4-tert-butyl-2-methylphenyl) ester IUPAC Name: (4-tert-butyl-2-methylphenyl) N-benzyl-2-morpholin-4-ium-4-ylethanimidothioate Traditional Name: N-benzyl-2-morpholin-4-ium-4-yl-thioacetimidic acid (4-tert-butyl-2-methyl-phenyl) ester Formula: C24H33N2OS+ MolecularWeight: 397.59662

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(C)(C)C)SC(=NCC2=CC=CC=C2)C[NH+]3CCOCC3

Isomeric SMILES

CC1=C(C=CC(=C1)C(C)(C)C)SC(=NCC2=CC=CC=C2)C[NH+]3CCOCC3

InChI

InChI=1S/C24H32N2OS/c1-19-16-21(24(2,3)4)10-11-22(19)28-23(18-26-12-14-27-15-13-26)25-17-20-8-6-5-7-9-20/h5-11,16H,12-15,17-18H2,1-4H3/p+1