3-butyl-8-methyl-2H-1,3-benzoxazin-3-ium

Systemtic Name: 3-butyl-8-methyl-2H-1,3-benzoxazin-3-ium Openeye Name: 3-butyl-8-methyl-2H-1,3-benzoxazin-3-ium CAS Name: 3-butyl-8-methyl-2H-1,3-benzoxazin-3-ium IUPAC Name: 3-butyl-8-methyl-2H-1,3-benzoxazin-3-ium Traditional Name: 3-butyl-8-methyl-2H-1,3-benzoxazin-3-ium Formula: C13H18NO+ MolecularWeight: 204.28812

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+]1=CC2=C(C(=CC=C2)C)OC1

Isomeric SMILES

CCCC[N+]1=CC2=C(C(=CC=C2)C)OC1

InChI

InChI=1S/C13H18NO/c1-3-4-8-14-9-12-7-5-6-11(2)13(12)15-10-14/h5-7,9H,3-4,8,10H2,1-2H3/q+1