3-(2-methyl-6-propan-2-yl-phenyl)-2-(2-phenylethynyl)-8-propan-2-yl-1,4-dihydroquinazolin-3-ium

Systemtic Name: 3-(2-methyl-6-propan-2-yl-phenyl)-2-(2-phenylethynyl)-8-propan-2-yl-1,4-dihydroquinazolin-3-ium Openeye Name: 8-isopropyl-3-(2-isopropyl-6-methyl-phenyl)-2-(2-phenylethynyl)-1,4-dihydroquinazolin-3-ium CAS Name: 3-(2-methyl-6-propan-2-ylphenyl)-2-(2-phenylethynyl)-8-propan-2-yl-1,4-dihydroquinazolin-3-ium IUPAC Name: 3-(2-methyl-6-propan-2-ylphenyl)-2-(2-phenylethynyl)-8-propan-2-yl-1,4-dihydroquinazolin-3-ium Traditional Name: 8-isopropyl-3-(2-isopropyl-6-methyl-phenyl)-2-(2-phenylethynyl)-1,4-dihydroquinazolin-3-ium Formula: C29H31N2+ MolecularWeight: 407.56984

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C(C)C)[N+]2=C(NC3=C(C2)C=CC=C3C(C)C)C#CC4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=CC=C1)C(C)C)[N+]2=C(NC3=C(C2)C=CC=C3C(C)C)C#CC4=CC=CC=C4

InChI

InChI=1S/C29H30N2/c1-20(2)25-15-10-14-24-19-31(29-22(5)11-9-16-26(29)21(3)4)27(30-28(24)25)18-17-23-12-7-6-8-13-23/h6-16,20-21H,19H2,1-5H3/p+1