8-methyl-3-(2-methylpropyl)-2H-1,3-benzoxazin-3-ium

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1OC[N+](=C2)CC(C)C

Isomeric SMILES

CC1=CC=CC2=C1OC[N+](=C2)CC(C)C

InChI

InChI=1S/C13H18NO/c1-10(2)7-14-8-12-6-4-5-11(3)13(12)15-9-14/h4-6,8,10H,7,9H2,1-3H3/q+1