methyl-[(1S)-1-(4-methylsulfonylphenyl)ethyl]-[(4-phenylquinazolin-2-yl)methyl]azanium

Systemtic Name: methyl-[(1S)-1-(4-methylsulfonylphenyl)ethyl]-[(4-phenylquinazolin-2-yl)methyl]azanium Openeye Name: methyl-[(1S)-1-(4-methylsulfonylphenyl)ethyl]-[(4-phenylquinazolin-2-yl)methyl]ammonium CAS Name: methyl-[(1S)-1-(4-methylsulfonylphenyl)ethyl]-[(4-phenyl-2-quinazolinyl)methyl]ammonium IUPAC Name: methyl-[(1S)-1-(4-methylsulfonylphenyl)ethyl]-[(4-phenylquinazolin-2-yl)methyl]azanium Traditional Name: [(1S)-1-(4-mesylphenyl)ethyl]-methyl-[(4-phenylquinazolin-2-yl)methyl]ammonium Formula: C25H26N3O2S+ MolecularWeight: 432.55784

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)S(=O)(=O)C)[NH+](C)CC2=NC3=CC=CC=C3C(=N2)C4=CC=CC=C4

Isomeric SMILES

C[C@@H](C1=CC=C(C=C1)S(=O)(=O)C)[NH+](C)CC2=NC3=CC=CC=C3C(=N2)C4=CC=CC=C4

InChI

InChI=1S/C25H25N3O2S/c1-18(19-13-15-21(16-14-19)31(3,29)30)28(2)17-24-26-23-12-8-7-11-22(23)25(27-24)20-9-5-4-6-10-20/h4-16,18H,17H2,1-3H3/p+1/t18-/m0/s1