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

Systemtic Name: 3-(2-methylcyclohexyl)-8-(2-phenylpropan-2-yl)-2H-1,3-benzoxazin-3-ium Openeye Name: 3-(2-methylcyclohexyl)-8-(1-methyl-1-phenyl-ethyl)-2H-1,3-benzoxazin-3-ium CAS Name: 3-(2-methylcyclohexyl)-8-(2-phenylpropan-2-yl)-2H-1,3-benzoxazin-3-ium IUPAC Name: 3-(2-methylcyclohexyl)-8-(2-phenylpropan-2-yl)-2H-1,3-benzoxazin-3-ium Traditional Name: 8-cumyl-3-(2-methylcyclohexyl)-2H-1,3-benzoxazin-3-ium Formula: C24H30NO+ MolecularWeight: 348.5011

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1[N+]2=CC3=C(C(=CC=C3)C(C)(C)C4=CC=CC=C4)OC2

Isomeric SMILES

CC1CCCCC1[N+]2=CC3=C(C(=CC=C3)C(C)(C)C4=CC=CC=C4)OC2

InChI

InChI=1S/C24H30NO/c1-18-10-7-8-15-22(18)25-16-19-11-9-14-21(23(19)26-17-25)24(2,3)20-12-5-4-6-13-20/h4-6,9,11-14,16,18,22H,7-8,10,15,17H2,1-3H3/q+1