(1R,5S)-3-[2,2-bis(2-methylphenyl)ethenyl]-8,8-dimethyl-8-azoniabicyclo[3.2.1]octane

Systemtic Name: (1R,5S)-3-[2,2-bis(2-methylphenyl)ethenyl]-8,8-dimethyl-8-azoniabicyclo[3.2.1]octane Openeye Name: (1R,5S)-3-[2,2-bis(o-tolyl)vinyl]-8,8-dimethyl-8-azoniabicyclo[3.2.1]octane CAS Name: (1R,5S)-3-[2,2-bis(2-methylphenyl)ethenyl]-8,8-dimethyl-8-azoniabicyclo[3.2.1]octane IUPAC Name: (1R,5S)-3-[2,2-bis(2-methylphenyl)ethenyl]-8,8-dimethyl-8-azoniabicyclo[3.2.1]octane Traditional Name: (1R,5S)-3-[2,2-bis(o-tolyl)vinyl]-8,8-dimethyl-8-azoniabicyclo[3.2.1]octane Formula: C25H32N+ MolecularWeight: 346.52828

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=CC2CC3CCC(C2)[N+]3(C)C)C4=CC=CC=C4C

Isomeric SMILES

CC1=CC=CC=C1C(=CC2C[C@H]3CC[C@@H](C2)[N+]3(C)C)C4=CC=CC=C4C

InChI

InChI=1S/C25H32N/c1-18-9-5-7-11-23(18)25(24-12-8-6-10-19(24)2)17-20-15-21-13-14-22(16-20)26(21,3)4/h5-12,17,20-22H,13-16H2,1-4H3/q+1/t20?,21-,22+