2-tert-butyl-4-(triphenylmethyl)-5,6,7,8-tetrahydro-1,3-benzothiazin-1-ium

Systemtic Name: 2-tert-butyl-4-(triphenylmethyl)-5,6,7,8-tetrahydro-1,3-benzothiazin-1-ium Openeye Name: 2-tert-butyl-4-trityl-5,6,7,8-tetrahydro-1,3-benzothiazin-1-ium CAS Name: 2-tert-butyl-4-(triphenylmethyl)-5,6,7,8-tetrahydro-1,3-benzothiazin-1-ium IUPAC Name: 2-tert-butyl-4-trityl-5,6,7,8-tetrahydro-1,3-benzothiazin-1-ium Traditional Name: 2-tert-butyl-4-trityl-5,6,7,8-tetrahydro-1,3-benzothiazin-1-ium Formula: C31H32NS+ MolecularWeight: 450.65748

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=[S+]C2=C(CCCC2)C(=N1)C(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CC(C)(C)C1=[S+]C2=C(CCCC2)C(=N1)C(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C31H32NS/c1-30(2,3)29-32-28(26-21-13-14-22-27(26)33-29)31(23-15-7-4-8-16-23,24-17-9-5-10-18-24)25-19-11-6-12-20-25/h4-12,15-20H,13-14,21-22H2,1-3H3/q+1