3-(4-dimethylaminophenyl)-6-methyl-8-(2-phenylpropan-2-yl)-1,3-benzoxazin-3-ium-2-one

Systemtic Name: 3-(4-dimethylaminophenyl)-6-methyl-8-(2-phenylpropan-2-yl)-1,3-benzoxazin-3-ium-2-one Openeye Name: 3-(4-dimethylaminophenyl)-6-methyl-8-(1-methyl-1-phenyl-ethyl)-1,3-benzoxazin-3-ium-2-one CAS Name: 3-(4-dimethylaminophenyl)-6-methyl-8-(2-phenylpropan-2-yl)-1,3-benzoxazin-3-ium-2-one IUPAC Name: 3-(4-dimethylaminophenyl)-6-methyl-8-(2-phenylpropan-2-yl)-1,3-benzoxazin-3-ium-2-one Traditional Name: 8-cumyl-3-(4-dimethylaminophenyl)-6-methyl-1,3-benzoxazin-3-ium-2-one Formula: C26H27N2O2+ MolecularWeight: 399.50478

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)C=[N+](C(=O)O2)C3=CC=C(C=C3)N(C)C)C(C)(C)C4=CC=CC=C4

Isomeric SMILES

CC1=CC(=C2C(=C1)C=[N+](C(=O)O2)C3=CC=C(C=C3)N(C)C)C(C)(C)C4=CC=CC=C4

InChI

InChI=1S/C26H27N2O2/c1-18-15-19-17-28(22-13-11-21(12-14-22)27(4)5)25(29)30-24(19)23(16-18)26(2,3)20-9-7-6-8-10-20/h6-17H,1-5H3/q+1