dimethyl-(phenylmethyl)-[2-[[2-(phenylmethylsulfanyl)quinazolin-4-yl]amino]ethyl]azanium

Systemtic Name: dimethyl-(phenylmethyl)-[2-[[2-(phenylmethylsulfanyl)quinazolin-4-yl]amino]ethyl]azanium Openeye Name: benzyl-[2-[(2-benzylsulfanylquinazolin-4-yl)amino]ethyl]-dimethyl-ammonium CAS Name: dimethyl-(phenylmethyl)-[2-[[2-(phenylmethylthio)-4-quinazolinyl]amino]ethyl]ammonium IUPAC Name: benzyl-[2-[(2-benzylsulfanylquinazolin-4-yl)amino]ethyl]-dimethylazanium Traditional Name: benzyl-[2-[[2-(benzylthio)quinazolin-4-yl]amino]ethyl]-dimethyl-ammonium Formula: C26H29N4S+ MolecularWeight: 429.60026

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(CCNC1=NC(=NC2=CC=CC=C21)SCC3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

C[N+](C)(CCNC1=NC(=NC2=CC=CC=C21)SCC3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C26H29N4S/c1-30(2,19-21-11-5-3-6-12-21)18-17-27-25-23-15-9-10-16-24(23)28-26(29-25)31-20-22-13-7-4-8-14-22/h3-16H,17-20H2,1-2H3,(H,27,28,29)/q+1