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

Systemtic Name: 4-[8-(1-adamantyl)-6-methyl-2H-1,3-benzoxazin-3-ium-3-yl]-N,N-dimethyl-aniline Openeye Name: 4-[8-(1-adamantyl)-6-methyl-2H-1,3-benzoxazin-3-ium-3-yl]-N,N-dimethyl-aniline CAS Name: 4-[8-(1-adamantyl)-6-methyl-2H-1,3-benzoxazin-3-ium-3-yl]-N,N-dimethylaniline IUPAC Name: 4-[8-(1-adamantyl)-6-methyl-2H-1,3-benzoxazin-3-ium-3-yl]-N,N-dimethylaniline Traditional Name: [4-[8-(1-adamantyl)-6-methyl-2H-1,3-benzoxazin-3-ium-3-yl]phenyl]-dimethyl-amine Formula: C27H33N2O+ MolecularWeight: 401.56372

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)C=[N+](CO2)C3=CC=C(C=C3)N(C)C)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CC1=CC(=C2C(=C1)C=[N+](CO2)C3=CC=C(C=C3)N(C)C)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C27H33N2O/c1-18-8-22-16-29(24-6-4-23(5-7-24)28(2)3)17-30-26(22)25(9-18)27-13-19-10-20(14-27)12-21(11-19)15-27/h4-9,16,19-21H,10-15,17H2,1-3H3/q+1