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

Systemtic Name: 2-[[(2R)-2-(4-methoxyphenyl)azepan-1-ium-1-yl]methyl]-1H-quinazolin-4-one Openeye Name: 2-[[(2R)-2-(4-methoxyphenyl)azepan-1-ium-1-yl]methyl]-1H-quinazolin-4-one CAS Name: 2-[[(2R)-2-(4-methoxyphenyl)-1-azepan-1-iumyl]methyl]-1H-quinazolin-4-one IUPAC Name: 2-[[(2R)-2-(4-methoxyphenyl)azepan-1-ium-1-yl]methyl]-1H-quinazolin-4-one Traditional Name: 2-[[(2R)-2-(4-methoxyphenyl)azepan-1-ium-1-yl]methyl]-1H-quinazolin-4-one Formula: C22H26N3O2+ MolecularWeight: 364.46074

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2CCCCC[NH+]2CC3=NC(=O)C4=CC=CC=C4N3

Isomeric SMILES

COC1=CC=C(C=C1)[C@H]2CCCCC[NH+]2CC3=NC(=O)C4=CC=CC=C4N3

InChI

InChI=1S/C22H25N3O2/c1-27-17-12-10-16(11-13-17)20-9-3-2-6-14-25(20)15-21-23-19-8-5-4-7-18(19)22(26)24-21/h4-5,7-8,10-13,20H,2-3,6,9,14-15H2,1H3,(H,23,24,26)/p+1/t20-/m1/s1