2-[2-[3-(2-methyl-1H-imidazol-3-ium-3-yl)propylsulfanyl]-4-oxidanylidene-quinazolin-3-yl]ethyl-di(propan-2-yl)azanium

Systemtic Name: 2-[2-[3-(2-methyl-1H-imidazol-3-ium-3-yl)propylsulfanyl]-4-oxidanylidene-quinazolin-3-yl]ethyl-di(propan-2-yl)azanium Openeye Name: diisopropyl-[2-[2-[3-(2-methyl-1H-imidazol-3-ium-3-yl)propylsulfanyl]-4-oxo-quinazolin-3-yl]ethyl]ammonium CAS Name: 2-[2-[3-(2-methyl-1H-imidazol-3-ium-3-yl)propylthio]-4-oxo-3-quinazolinyl]ethyl-di(propan-2-yl)ammonium IUPAC Name: 2-[2-[3-(2-methyl-1H-imidazol-3-ium-3-yl)propylsulfanyl]-4-oxoquinazolin-3-yl]ethyl-di(propan-2-yl)azanium Traditional Name: diisopropyl-[2-[4-keto-2-[3-(2-methyl-1H-imidazol-3-ium-3-yl)propylthio]quinazolin-3-yl]ethyl]ammonium Formula: C23H35N5OS+2 MolecularWeight: 429.6219

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C=CN1)CCCSC2=NC3=CC=CC=C3C(=O)N2CC[NH+](C(C)C)C(C)C

Isomeric SMILES

CC1=[N+](C=CN1)CCCSC2=NC3=CC=CC=C3C(=O)N2CC[NH+](C(C)C)C(C)C

InChI

InChI=1S/C23H33N5OS/c1-17(2)27(18(3)4)14-15-28-22(29)20-9-6-7-10-21(20)25-23(28)30-16-8-12-26-13-11-24-19(26)5/h6-7,9-11,13,17-18H,8,12,14-16H2,1-5H3/p+2