3-[2-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-quinazolin-3-yl]propyl-dimethyl-azanium

Systemtic Name: 3-[2-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-quinazolin-3-yl]propyl-dimethyl-azanium Openeye Name: 3-[2-[2-[(3R,5R)-3,5-dimethyl-1-piperidyl]-2-oxo-ethyl]sulfanyl-4-oxo-quinazolin-3-yl]propyl-dimethyl-ammonium CAS Name: 3-[2-[[2-[(3R,5R)-3,5-dimethyl-1-piperidinyl]-2-oxoethyl]thio]-4-oxo-3-quinazolinyl]propyl-dimethylammonium IUPAC Name: 3-[2-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]propyl-dimethylazanium Traditional Name: 3-[2-[[2-[(3R,5R)-3,5-dimethylpiperidino]-2-keto-ethyl]thio]-4-keto-quinazolin-3-yl]propyl-dimethyl-ammonium Formula: C22H33N4O2S+ MolecularWeight: 417.58802

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCC[NH+](C)C)C

Isomeric SMILES

C[C@@H]1C[C@H](CN(C1)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCC[NH+](C)C)C

InChI

InChI=1S/C22H32N4O2S/c1-16-12-17(2)14-25(13-16)20(27)15-29-22-23-19-9-6-5-8-18(19)21(28)26(22)11-7-10-24(3)4/h5-6,8-9,16-17H,7,10-15H2,1-4H3/p+1/t16-,17-/m1/s1