2-[[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-ium-1-yl]methyl]-8-methyl-1H-quinazolin-4-one

Systemtic Name: 2-[[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-ium-1-yl]methyl]-8-methyl-1H-quinazolin-4-one Openeye Name: 2-[[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-ium-1-yl]methyl]-8-methyl-1H-quinazolin-4-one CAS Name: 2-[[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-pyrrolidin-1-iumyl]methyl]-8-methyl-1H-quinazolin-4-one IUPAC Name: 2-[[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-ium-1-yl]methyl]-8-methyl-1H-quinazolin-4-one Traditional Name: 2-[[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-ium-1-yl]methyl]-8-methyl-1H-quinazolin-4-one Formula: C22H24N3O3+ MolecularWeight: 378.44426

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1NC(=NC2=O)C[NH+]3CCCC3C4=CC5=C(C=C4)OCCO5

Isomeric SMILES

CC1=CC=CC2=C1NC(=NC2=O)C[NH+]3CCC[C@H]3C4=CC5=C(C=C4)OCCO5

InChI

InChI=1S/C22H23N3O3/c1-14-4-2-5-16-21(14)23-20(24-22(16)26)13-25-9-3-6-17(25)15-7-8-18-19(12-15)28-11-10-27-18/h2,4-5,7-8,12,17H,3,6,9-11,13H2,1H3,(H,23,24,26)/p+1/t17-/m0/s1