2-[[(2S)-2-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]methyl]-8-methyl-1H-quinazolin-4-one

Systemtic Name: 2-[[(2S)-2-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]methyl]-8-methyl-1H-quinazolin-4-one Openeye Name: 2-[[(2S)-2-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]methyl]-8-methyl-1H-quinazolin-4-one CAS Name: 2-[[(2S)-2-(1,3-benzothiazol-2-yl)-1-piperidin-1-iumyl]methyl]-8-methyl-1H-quinazolin-4-one IUPAC Name: 2-[[(2S)-2-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]methyl]-8-methyl-1H-quinazolin-4-one Traditional Name: 2-[[(2S)-2-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]methyl]-8-methyl-1H-quinazolin-4-one Formula: C22H23N4OS+ MolecularWeight: 391.50922

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1NC(=NC2=O)C[NH+]3CCCCC3C4=NC5=CC=CC=C5S4

Isomeric SMILES

CC1=CC=CC2=C1NC(=NC2=O)C[NH+]3CCCC[C@H]3C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C22H22N4OS/c1-14-7-6-8-15-20(14)24-19(25-21(15)27)13-26-12-5-4-10-17(26)22-23-16-9-2-3-11-18(16)28-22/h2-3,6-9,11,17H,4-5,10,12-13H2,1H3,(H,24,25,27)/p+1/t17-/m0/s1