4-butylsulfanyl-2-phenyl-5,6,7,8-tetrahydro-1,3-benzoxazin-1-ium

Systemtic Name: 4-butylsulfanyl-2-phenyl-5,6,7,8-tetrahydro-1,3-benzoxazin-1-ium Openeye Name: 4-butylsulfanyl-2-phenyl-5,6,7,8-tetrahydro-1,3-benzoxazin-1-ium CAS Name: 4-(butylthio)-2-phenyl-5,6,7,8-tetrahydro-1,3-benzoxazin-1-ium IUPAC Name: 4-butylsulfanyl-2-phenyl-5,6,7,8-tetrahydro-1,3-benzoxazin-1-ium Traditional Name: 4-(butylthio)-2-phenyl-5,6,7,8-tetrahydro-1,3-benzoxazin-1-ium Formula: C18H22NOS+ MolecularWeight: 300.43838

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NC(=[O+]C2=C1CCCC2)C3=CC=CC=C3

Isomeric SMILES

CCCCSC1=NC(=[O+]C2=C1CCCC2)C3=CC=CC=C3

InChI

InChI=1S/C18H22NOS/c1-2-3-13-21-18-15-11-7-8-12-16(15)20-17(19-18)14-9-5-4-6-10-14/h4-6,9-10H,2-3,7-8,11-13H2,1H3/q+1