4-[6,8-bis(2-methylbutan-2-yl)-2H-1,3-benzoxazin-3-ium-3-yl]-N,N-dimethyl-aniline

Systemtic Name: 4-[6,8-bis(2-methylbutan-2-yl)-2H-1,3-benzoxazin-3-ium-3-yl]-N,N-dimethyl-aniline Openeye Name: 4-[6,8-bis(1,1-dimethylpropyl)-2H-1,3-benzoxazin-3-ium-3-yl]-N,N-dimethyl-aniline CAS Name: 4-[6,8-bis(2-methylbutan-2-yl)-2H-1,3-benzoxazin-3-ium-3-yl]-N,N-dimethylaniline IUPAC Name: 4-[6,8-bis(2-methylbutan-2-yl)-2H-1,3-benzoxazin-3-ium-3-yl]-N,N-dimethylaniline Traditional Name: [4-(6,8-ditert-amyl-2H-1,3-benzoxazin-3-ium-3-yl)phenyl]-dimethyl-amine Formula: C26H37N2O+ MolecularWeight: 393.58478

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1=CC(=C2C(=C1)C=[N+](CO2)C3=CC=C(C=C3)N(C)C)C(C)(C)CC

Isomeric SMILES

CCC(C)(C)C1=CC(=C2C(=C1)C=[N+](CO2)C3=CC=C(C=C3)N(C)C)C(C)(C)CC

InChI

InChI=1S/C26H37N2O/c1-9-25(3,4)20-15-19-17-28(22-13-11-21(12-14-22)27(7)8)18-29-24(19)23(16-20)26(5,6)10-2/h11-17H,9-10,18H2,1-8H3/q+1