2-phenyl-4-(phenylmethylsulfanyl)-5,6,7,8-tetrahydro-1,3-benzoxazin-1-ium

Systemtic Name: 2-phenyl-4-(phenylmethylsulfanyl)-5,6,7,8-tetrahydro-1,3-benzoxazin-1-ium Openeye Name: 4-benzylsulfanyl-2-phenyl-5,6,7,8-tetrahydro-1,3-benzoxazin-1-ium CAS Name: 2-phenyl-4-(phenylmethylthio)-5,6,7,8-tetrahydro-1,3-benzoxazin-1-ium IUPAC Name: 4-benzylsulfanyl-2-phenyl-5,6,7,8-tetrahydro-1,3-benzoxazin-1-ium Traditional Name: 4-(benzylthio)-2-phenyl-5,6,7,8-tetrahydro-1,3-benzoxazin-1-ium Formula: C21H20NOS+ MolecularWeight: 334.4546

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=NC(=[O+]2)C3=CC=CC=C3)SCC4=CC=CC=C4

Isomeric SMILES

C1CCC2=C(C1)C(=NC(=[O+]2)C3=CC=CC=C3)SCC4=CC=CC=C4

InChI

InChI=1S/C21H20NOS/c1-3-9-16(10-4-1)15-24-21-18-13-7-8-14-19(18)23-20(22-21)17-11-5-2-6-12-17/h1-6,9-12H,7-8,13-15H2/q+1