6-chloranyl-2-[[(2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-ium-1-yl]methyl]-1H-quinazolin-4-one

Systemtic Name: 6-chloranyl-2-[[(2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-ium-1-yl]methyl]-1H-quinazolin-4-one Openeye Name: 6-chloro-2-[[(2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-ium-1-yl]methyl]-1H-quinazolin-4-one CAS Name: 6-chloro-2-[[(2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-pyrrolidin-1-iumyl]methyl]-1H-quinazolin-4-one IUPAC Name: 6-chloro-2-[[(2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-ium-1-yl]methyl]-1H-quinazolin-4-one Traditional Name: 6-chloro-2-[[(2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-ium-1-yl]methyl]-1H-quinazolin-4-one Formula: C22H23ClN3O3+ MolecularWeight: 412.88932

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Descriptors Computed from Structure

Canonical SMILES:

C1CC([NH+](C1)CC2=NC(=O)C3=C(N2)C=CC(=C3)Cl)C4=CC5=C(C=C4)OCCCO5

Isomeric SMILES

C1C[C@@H]([NH+](C1)CC2=NC(=O)C3=C(N2)C=CC(=C3)Cl)C4=CC5=C(C=C4)OCCCO5

InChI

InChI=1S/C22H22ClN3O3/c23-15-5-6-17-16(12-15)22(27)25-21(24-17)13-26-8-1-3-18(26)14-4-7-19-20(11-14)29-10-2-9-28-19/h4-7,11-12,18H,1-3,8-10,13H2,(H,24,25,27)/p+1/t18-/m1/s1