5-dodecan-6-yl-2,2,4-trimethyl-4H-1,2-benzoxazin-2-ium-3-one

Systemtic Name: 5-dodecan-6-yl-2,2,4-trimethyl-4H-1,2-benzoxazin-2-ium-3-one Openeye Name: 2,2,4-trimethyl-5-(1-pentylheptyl)-4H-1,2-benzoxazin-2-ium-3-one CAS Name: 5-dodecan-6-yl-2,2,4-trimethyl-4H-1,2-benzoxazin-2-ium-3-one IUPAC Name: 5-dodecan-6-yl-2,2,4-trimethyl-4H-1,2-benzoxazin-2-ium-3-one Traditional Name: 5-(1-amylheptyl)-2,2,4-trimethyl-4H-1,2-benzoxazin-2-ium-3-one Formula: C23H38NO2+ MolecularWeight: 360.55332

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(CCCCC)C1=C2C(C(=O)[N+](OC2=CC=C1)(C)C)C

Isomeric SMILES

CCCCCCC(CCCCC)C1=C2C(C(=O)[N+](OC2=CC=C1)(C)C)C

InChI

InChI=1S/C23H38NO2/c1-6-8-10-12-15-19(14-11-9-7-2)20-16-13-17-21-22(20)18(3)23(25)24(4,5)26-21/h13,16-19H,6-12,14-15H2,1-5H3/q+1