2-[[(2S)-2-(4-methoxyphenyl)azepan-1-ium-1-yl]methyl]-8-methyl-1H-quinazolin-4-one

Systemtic Name: 2-[[(2S)-2-(4-methoxyphenyl)azepan-1-ium-1-yl]methyl]-8-methyl-1H-quinazolin-4-one Openeye Name: 2-[[(2S)-2-(4-methoxyphenyl)azepan-1-ium-1-yl]methyl]-8-methyl-1H-quinazolin-4-one CAS Name: 2-[[(2S)-2-(4-methoxyphenyl)-1-azepan-1-iumyl]methyl]-8-methyl-1H-quinazolin-4-one IUPAC Name: 2-[[(2S)-2-(4-methoxyphenyl)azepan-1-ium-1-yl]methyl]-8-methyl-1H-quinazolin-4-one Traditional Name: 2-[[(2S)-2-(4-methoxyphenyl)azepan-1-ium-1-yl]methyl]-8-methyl-1H-quinazolin-4-one Formula: C23H28N3O2+ MolecularWeight: 378.48732

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1NC(=NC2=O)C[NH+]3CCCCCC3C4=CC=C(C=C4)OC

Isomeric SMILES

CC1=CC=CC2=C1NC(=NC2=O)C[NH+]3CCCCC[C@H]3C4=CC=C(C=C4)OC

InChI

InChI=1S/C23H27N3O2/c1-16-7-6-8-19-22(16)24-21(25-23(19)27)15-26-14-5-3-4-9-20(26)17-10-12-18(28-2)13-11-17/h6-8,10-13,20H,3-5,9,14-15H2,1-2H3,(H,24,25,27)/p+1/t20-/m0/s1