3-[[2-(4-tert-butylphenyl)quinazolin-4-yl]amino]propyl-dimethyl-azanium

Systemtic Name: 3-[[2-(4-tert-butylphenyl)quinazolin-4-yl]amino]propyl-dimethyl-azanium Openeye Name: 3-[[2-(4-tert-butylphenyl)quinazolin-4-yl]amino]propyl-dimethyl-ammonium CAS Name: 3-[[2-(4-tert-butylphenyl)-4-quinazolinyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[2-(4-tert-butylphenyl)quinazolin-4-yl]amino]propyl-dimethylazanium Traditional Name: 3-[[2-(4-tert-butylphenyl)quinazolin-4-yl]amino]propyl-dimethyl-ammonium Formula: C23H31N4+ MolecularWeight: 363.51904

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=N2)NCCC[NH+](C)C

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=N2)NCCC[NH+](C)C

InChI

InChI=1S/C23H30N4/c1-23(2,3)18-13-11-17(12-14-18)21-25-20-10-7-6-9-19(20)22(26-21)24-15-8-16-27(4)5/h6-7,9-14H,8,15-16H2,1-5H3,(H,24,25,26)/p+1