3-[2-[(2R)-1-[(2R)-2-ethylpiperidin-1-yl]-1-oxidanylidene-propan-2-yl]sulfanyl-4-oxidanylidene-quinazolin-3-yl]propyl-dimethyl-azanium

Systemtic Name: 3-[2-[(2R)-1-[(2R)-2-ethylpiperidin-1-yl]-1-oxidanylidene-propan-2-yl]sulfanyl-4-oxidanylidene-quinazolin-3-yl]propyl-dimethyl-azanium Openeye Name: 3-[2-[(1R)-2-[(2R)-2-ethyl-1-piperidyl]-1-methyl-2-oxo-ethyl]sulfanyl-4-oxo-quinazolin-3-yl]propyl-dimethyl-ammonium CAS Name: 3-[2-[[(2R)-1-[(2R)-2-ethyl-1-piperidinyl]-1-oxopropan-2-yl]thio]-4-oxo-3-quinazolinyl]propyl-dimethylammonium IUPAC Name: 3-[2-[(2R)-1-[(2R)-2-ethylpiperidin-1-yl]-1-oxopropan-2-yl]sulfanyl-4-oxoquinazolin-3-yl]propyl-dimethylazanium Traditional Name: 3-[2-[[(1R)-2-[(2R)-2-ethylpiperidino]-2-keto-1-methyl-ethyl]thio]-4-keto-quinazolin-3-yl]propyl-dimethyl-ammonium Formula: C23H35N4O2S+ MolecularWeight: 431.6146

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCCN1C(=O)C(C)SC2=NC3=CC=CC=C3C(=O)N2CCC[NH+](C)C

Isomeric SMILES

CC[C@@H]1CCCCN1C(=O)[C@@H](C)SC2=NC3=CC=CC=C3C(=O)N2CCC[NH+](C)C

InChI

InChI=1S/C23H34N4O2S/c1-5-18-11-8-9-15-26(18)21(28)17(2)30-23-24-20-13-7-6-12-19(20)22(29)27(23)16-10-14-25(3)4/h6-7,12-13,17-18H,5,8-11,14-16H2,1-4H3/p+1/t17-,18-/m1/s1