6-methoxy-3-(2-methylcyclohexyl)-8-(2-phenylpropan-2-yl)-2H-1,3-benzoxazin-3-ium

Systemtic Name: 6-methoxy-3-(2-methylcyclohexyl)-8-(2-phenylpropan-2-yl)-2H-1,3-benzoxazin-3-ium Openeye Name: 6-methoxy-3-(2-methylcyclohexyl)-8-(1-methyl-1-phenyl-ethyl)-2H-1,3-benzoxazin-3-ium CAS Name: 6-methoxy-3-(2-methylcyclohexyl)-8-(2-phenylpropan-2-yl)-2H-1,3-benzoxazin-3-ium IUPAC Name: 6-methoxy-3-(2-methylcyclohexyl)-8-(2-phenylpropan-2-yl)-2H-1,3-benzoxazin-3-ium Traditional Name: 8-cumyl-6-methoxy-3-(2-methylcyclohexyl)-2H-1,3-benzoxazin-3-ium Formula: C25H32NO2+ MolecularWeight: 378.52708

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1[N+]2=CC3=CC(=CC(=C3OC2)C(C)(C)C4=CC=CC=C4)OC

Isomeric SMILES

CC1CCCCC1[N+]2=CC3=CC(=CC(=C3OC2)C(C)(C)C4=CC=CC=C4)OC

InChI

InChI=1S/C25H32NO2/c1-18-10-8-9-13-23(18)26-16-19-14-21(27-4)15-22(24(19)28-17-26)25(2,3)20-11-6-5-7-12-20/h5-7,11-12,14-16,18,23H,8-10,13,17H2,1-4H3/q+1