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

Systemtic Name: 3-(4-methoxyphenyl)-6,8-bis(2-methylbutan-2-yl)-1,3-benzoxazin-3-ium-2-one Openeye Name: 6,8-bis(1,1-dimethylpropyl)-3-(4-methoxyphenyl)-1,3-benzoxazin-3-ium-2-one CAS Name: 3-(4-methoxyphenyl)-6,8-bis(2-methylbutan-2-yl)-1,3-benzoxazin-3-ium-2-one IUPAC Name: 3-(4-methoxyphenyl)-6,8-bis(2-methylbutan-2-yl)-1,3-benzoxazin-3-ium-2-one Traditional Name: 6,8-ditert-amyl-3-(4-methoxyphenyl)-1,3-benzoxazin-3-ium-2-one Formula: C25H32NO3+ MolecularWeight: 394.52648

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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)OC)C(C)(C)CC

Isomeric SMILES

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

InChI

InChI=1S/C25H32NO3/c1-8-24(3,4)18-14-17-16-26(19-10-12-20(28-7)13-11-19)23(27)29-22(17)21(15-18)25(5,6)9-2/h10-16H,8-9H2,1-7H3/q+1