2-[2-[[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]methyl]-4-oxidanylidene-quinazolin-3-yl]ethanamide

Systemtic Name: 2-[2-[[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]methyl]-4-oxidanylidene-quinazolin-3-yl]ethanamide Openeye Name: 2-[2-[[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]methyl]-4-oxo-quinazolin-3-yl]acetamide CAS Name: 2-[2-[[(3R)-3-(1,3-benzothiazol-2-yl)-1-piperidin-1-iumyl]methyl]-4-oxo-3-quinazolinyl]acetamide IUPAC Name: 2-[2-[[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]methyl]-4-oxoquinazolin-3-yl]acetamide Traditional Name: 2-[2-[[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]methyl]-4-keto-quinazolin-3-yl]acetamide Formula: C23H24N5O2S+ MolecularWeight: 434.53396

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=NC3=CC=CC=C3C(=O)N2CC(=O)N)C4=NC5=CC=CC=C5S4

Isomeric SMILES

C1C[C@H](C[NH+](C1)CC2=NC3=CC=CC=C3C(=O)N2CC(=O)N)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C23H23N5O2S/c24-20(29)13-28-21(25-17-8-2-1-7-16(17)23(28)30)14-27-11-5-6-15(12-27)22-26-18-9-3-4-10-19(18)31-22/h1-4,7-10,15H,5-6,11-14H2,(H2,24,29)/p+1/t15-/m1/s1