2-[[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-ium-1-yl]methyl]-8-methyl-1H-quinazolin-4-one

Systemtic Name: 2-[[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-ium-1-yl]methyl]-8-methyl-1H-quinazolin-4-one Openeye Name: 2-[[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-ium-1-yl]methyl]-8-methyl-1H-quinazolin-4-one CAS Name: 2-[[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-pyrrolidin-1-iumyl]methyl]-8-methyl-1H-quinazolin-4-one IUPAC Name: 2-[[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-ium-1-yl]methyl]-8-methyl-1H-quinazolin-4-one Traditional Name: 2-[[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-ium-1-yl]methyl]-8-methyl-1H-quinazolin-4-one Formula: C23H26N3O3+ MolecularWeight: 392.47084

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1NC(=NC2=O)C[NH+]3CCCC3C4=CC5=C(C=C4)OCCCO5

Isomeric SMILES

CC1=CC=CC2=C1NC(=NC2=O)C[NH+]3CCC[C@H]3C4=CC5=C(C=C4)OCCCO5

InChI

InChI=1S/C23H25N3O3/c1-15-5-2-6-17-22(15)24-21(25-23(17)27)14-26-10-3-7-18(26)16-8-9-19-20(13-16)29-12-4-11-28-19/h2,5-6,8-9,13,18H,3-4,7,10-12,14H2,1H3,(H,24,25,27)/p+1/t18-/m0/s1