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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1=CC=CC=C1)C2=C3C(=CC(=C2)OC)C=[N+](CO3)CC4CCCCC4

Isomeric SMILES

CC(C)(C1=CC=CC=C1)C2=C3C(=CC(=C2)OC)C=[N+](CO3)CC4CCCCC4

InChI

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