2-[[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-ium-1-yl]methyl]-6,7-dimethoxy-1H-quinazolin-4-one

Systemtic Name: 2-[[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-ium-1-yl]methyl]-6,7-dimethoxy-1H-quinazolin-4-one Openeye Name: 2-[[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-ium-1-yl]methyl]-6,7-dimethoxy-1H-quinazolin-4-one CAS Name: 2-[[(2S)-2-(1,3-benzothiazol-2-yl)-1-pyrrolidin-1-iumyl]methyl]-6,7-dimethoxy-1H-quinazolin-4-one IUPAC Name: 2-[[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-ium-1-yl]methyl]-6,7-dimethoxy-1H-quinazolin-4-one Traditional Name: 2-[[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-ium-1-yl]methyl]-6,7-dimethoxy-1H-quinazolin-4-one Formula: C22H23N4O3S+ MolecularWeight: 423.50802

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=O)N=C(N2)C[NH+]3CCCC3C4=NC5=CC=CC=C5S4)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=O)N=C(N2)C[NH+]3CCC[C@H]3C4=NC5=CC=CC=C5S4)OC

InChI

InChI=1S/C22H22N4O3S/c1-28-17-10-13-15(11-18(17)29-2)23-20(25-21(13)27)12-26-9-5-7-16(26)22-24-14-6-3-4-8-19(14)30-22/h3-4,6,8,10-11,16H,5,7,9,12H2,1-2H3,(H,23,25,27)/p+1/t16-/m0/s1