N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]-2-(4-oxidanylidenequinazolin-3-yl)ethanamide

Systemtic Name: N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]-2-(4-oxidanylidenequinazolin-3-yl)ethanamide Openeye Name: N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]-2-(4-oxoquinazolin-3-yl)acetamide CAS Name: N-[(2R)-2-(4-methoxyphenyl)-2-(1-piperidin-1-iumyl)ethyl]-2-(4-oxo-3-quinazolinyl)acetamide IUPAC Name: N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-ylethyl]-2-(4-oxoquinazolin-3-yl)acetamide Traditional Name: 2-(4-ketoquinazolin-3-yl)-N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]acetamide Formula: C24H29N4O3+ MolecularWeight: 421.51206

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(CNC(=O)CN2C=NC3=CC=CC=C3C2=O)[NH+]4CCCCC4

Isomeric SMILES

COC1=CC=C(C=C1)[C@H](CNC(=O)CN2C=NC3=CC=CC=C3C2=O)[NH+]4CCCCC4

InChI

InChI=1S/C24H28N4O3/c1-31-19-11-9-18(10-12-19)22(27-13-5-2-6-14-27)15-25-23(29)16-28-17-26-21-8-4-3-7-20(21)24(28)30/h3-4,7-12,17,22H,2,5-6,13-16H2,1H3,(H,25,29)/p+1/t22-/m0/s1