1-(5-bicyclo[3.3.1]nonanyl)-3,4,4,6-tetramethyl-3-phenyl-2H-quinazolin-3-ium

Systemtic Name: 1-(5-bicyclo[3.3.1]nonanyl)-3,4,4,6-tetramethyl-3-phenyl-2H-quinazolin-3-ium Openeye Name: 1-(5-bicyclo[3.3.1]nonanyl)-3,4,4,6-tetramethyl-3-phenyl-2H-quinazolin-3-ium CAS Name: 1-(5-bicyclo[3.3.1]nonanyl)-3,4,4,6-tetramethyl-3-phenyl-2H-quinazolin-3-ium IUPAC Name: 1-(5-bicyclo[3.3.1]nonanyl)-3,4,4,6-tetramethyl-3-phenyl-2H-quinazolin-3-ium Traditional Name: 1-(5-bicyclo[3.3.1]nonanyl)-3,4,4,6-tetramethyl-3-phenyl-2H-quinazolin-3-ium Formula: C27H37N2+ MolecularWeight: 389.59608

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(C[N+](C2(C)C)(C)C3=CC=CC=C3)C45CCCC(C4)CCC5

Isomeric SMILES

CC1=CC2=C(C=C1)N(C[N+](C2(C)C)(C)C3=CC=CC=C3)C45CCCC(C4)CCC5

InChI

InChI=1S/C27H37N2/c1-21-14-15-25-24(18-21)26(2,3)29(4,23-12-6-5-7-13-23)20-28(25)27-16-8-10-22(19-27)11-9-17-27/h5-7,12-15,18,22H,8-11,16-17,19-20H2,1-4H3/q+1