2-[2-[[(2R)-2-(4-methoxyphenyl)azepan-1-ium-1-yl]methyl]-4-oxidanylidene-quinazolin-3-yl]ethanamide

Systemtic Name: 2-[2-[[(2R)-2-(4-methoxyphenyl)azepan-1-ium-1-yl]methyl]-4-oxidanylidene-quinazolin-3-yl]ethanamide Openeye Name: 2-[2-[[(2R)-2-(4-methoxyphenyl)azepan-1-ium-1-yl]methyl]-4-oxo-quinazolin-3-yl]acetamide CAS Name: 2-[2-[[(2R)-2-(4-methoxyphenyl)-1-azepan-1-iumyl]methyl]-4-oxo-3-quinazolinyl]acetamide IUPAC Name: 2-[2-[[(2R)-2-(4-methoxyphenyl)azepan-1-ium-1-yl]methyl]-4-oxoquinazolin-3-yl]acetamide Traditional Name: 2-[4-keto-2-[[(2R)-2-(4-methoxyphenyl)azepan-1-ium-1-yl]methyl]quinazolin-3-yl]acetamide Formula: C24H29N4O3+ MolecularWeight: 421.51206

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2CCCCC[NH+]2CC3=NC4=CC=CC=C4C(=O)N3CC(=O)N

Isomeric SMILES

COC1=CC=C(C=C1)[C@H]2CCCCC[NH+]2CC3=NC4=CC=CC=C4C(=O)N3CC(=O)N

InChI

InChI=1S/C24H28N4O3/c1-31-18-12-10-17(11-13-18)21-9-3-2-6-14-27(21)16-23-26-20-8-5-4-7-19(20)24(30)28(23)15-22(25)29/h4-5,7-8,10-13,21H,2-3,6,9,14-16H2,1H3,(H2,25,29)/p+1/t21-/m1/s1