2-(3,5-ditert-butylphenyl)-4-methylsulfanyl-5,6,7,8-tetrahydro-1,3-benzoxazin-1-ium

Systemtic Name: 2-(3,5-ditert-butylphenyl)-4-methylsulfanyl-5,6,7,8-tetrahydro-1,3-benzoxazin-1-ium Openeye Name: 2-(3,5-ditert-butylphenyl)-4-methylsulfanyl-5,6,7,8-tetrahydro-1,3-benzoxazin-1-ium CAS Name: 2-(3,5-ditert-butylphenyl)-4-(methylthio)-5,6,7,8-tetrahydro-1,3-benzoxazin-1-ium IUPAC Name: 2-(3,5-ditert-butylphenyl)-4-methylsulfanyl-5,6,7,8-tetrahydro-1,3-benzoxazin-1-ium Traditional Name: 2-(3,5-ditert-butylphenyl)-4-(methylthio)-5,6,7,8-tetrahydro-1,3-benzoxazin-1-ium Formula: C23H32NOS+ MolecularWeight: 370.57128

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1)C2=[O+]C3=C(CCCC3)C(=N2)SC)C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1)C2=[O+]C3=C(CCCC3)C(=N2)SC)C(C)(C)C

InChI

InChI=1S/C23H32NOS/c1-22(2,3)16-12-15(13-17(14-16)23(4,5)6)20-24-21(26-7)18-10-8-9-11-19(18)25-20/h12-14H,8-11H2,1-7H3/q+1