1,4,4-trimethyl-3-phenyl-1-(phenylsulfonyl)-2H-benzo[h]quinazolin-1-ium

Systemtic Name: 1,4,4-trimethyl-3-phenyl-1-(phenylsulfonyl)-2H-benzo[h]quinazolin-1-ium Openeye Name: 1-(benzenesulfonyl)-1,4,4-trimethyl-3-phenyl-2H-benzo[h]quinazolin-1-ium CAS Name: 1-(benzenesulfonyl)-1,4,4-trimethyl-3-phenyl-2H-benzo[h]quinazolin-1-ium IUPAC Name: 1-(benzenesulfonyl)-1,4,4-trimethyl-3-phenyl-2H-benzo[h]quinazolin-1-ium Traditional Name: 1-besyl-1,4,4-trimethyl-3-phenyl-2H-benzo[h]quinazolin-1-ium Formula: C27H27N2O2S+ MolecularWeight: 443.58048

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=C(C3=CC=CC=C3C=C2)[N+](CN1C4=CC=CC=C4)(C)S(=O)(=O)C5=CC=CC=C5)C

Isomeric SMILES

CC1(C2=C(C3=CC=CC=C3C=C2)[N+](CN1C4=CC=CC=C4)(C)S(=O)(=O)C5=CC=CC=C5)C

InChI

InChI=1S/C27H27N2O2S/c1-27(2)25-19-18-21-12-10-11-17-24(21)26(25)29(3,20-28(27)22-13-6-4-7-14-22)32(30,31)23-15-8-5-9-16-23/h4-19H,20H2,1-3H3/q+1