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

Systemtic Name: 2-[[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-ium-1-yl]methyl]-6,7-dimethoxy-1H-quinazolin-4-one Openeye Name: 2-[[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-ium-1-yl]methyl]-6,7-dimethoxy-1H-quinazolin-4-one CAS Name: 2-[[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-pyrrolidin-1-iumyl]methyl]-6,7-dimethoxy-1H-quinazolin-4-one IUPAC Name: 2-[[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-ium-1-yl]methyl]-6,7-dimethoxy-1H-quinazolin-4-one Traditional Name: 2-[[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-ium-1-yl]methyl]-6,7-dimethoxy-1H-quinazolin-4-one Formula: C24H28N3O5+ MolecularWeight: 438.49622

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=O)N=C(N2)C[NH+]3CCCC3C4=CC5=C(C=C4)OCCCO5)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=O)N=C(N2)C[NH+]3CCC[C@H]3C4=CC5=C(C=C4)OCCCO5)OC

InChI

InChI=1S/C24H27N3O5/c1-29-20-12-16-17(13-21(20)30-2)25-23(26-24(16)28)14-27-8-3-5-18(27)15-6-7-19-22(11-15)32-10-4-9-31-19/h6-7,11-13,18H,3-5,8-10,14H2,1-2H3,(H,25,26,28)/p+1/t18-/m0/s1