3-(4-dimethylaminophenyl)-6,8-bis(2-methylbutan-2-yl)-1,3-benzoxazin-3-ium-2-one

Systemtic Name: 3-(4-dimethylaminophenyl)-6,8-bis(2-methylbutan-2-yl)-1,3-benzoxazin-3-ium-2-one Openeye Name: 3-(4-dimethylaminophenyl)-6,8-bis(1,1-dimethylpropyl)-1,3-benzoxazin-3-ium-2-one CAS Name: 3-(4-dimethylaminophenyl)-6,8-bis(2-methylbutan-2-yl)-1,3-benzoxazin-3-ium-2-one IUPAC Name: 3-(4-dimethylaminophenyl)-6,8-bis(2-methylbutan-2-yl)-1,3-benzoxazin-3-ium-2-one Traditional Name: 6,8-ditert-amyl-3-(4-dimethylaminophenyl)-1,3-benzoxazin-3-ium-2-one Formula: C26H35N2O2+ MolecularWeight: 407.5683

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H35N2O2/c1-9-25(3,4)19-15-18-17-28(21-13-11-20(12-14-21)27(7)8)24(29)30-23(18)22(16-19)26(5,6)10-2/h11-17H,9-10H2,1-8H3/q+1