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

Systemtic Name: N-[(2R)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-2-(4-oxidanylidenequinazolin-3-yl)ethanamide Openeye Name: N-[(2R)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-2-(4-oxoquinazolin-3-yl)acetamide CAS Name: N-[(2R)-2-(3-methoxyphenyl)-2-(1-pyrrolidin-1-iumyl)ethyl]-2-(4-oxo-3-quinazolinyl)acetamide IUPAC Name: N-[(2R)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ium-1-ylethyl]-2-(4-oxoquinazolin-3-yl)acetamide Traditional Name: 2-(4-ketoquinazolin-3-yl)-N-[(2R)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]acetamide Formula: C23H27N4O3+ MolecularWeight: 407.48548

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(CNC(=O)CN2C=NC3=CC=CC=C3C2=O)[NH+]4CCCC4

Isomeric SMILES

COC1=CC=CC(=C1)[C@H](CNC(=O)CN2C=NC3=CC=CC=C3C2=O)[NH+]4CCCC4

InChI

InChI=1S/C23H26N4O3/c1-30-18-8-6-7-17(13-18)21(26-11-4-5-12-26)14-24-22(28)15-27-16-25-20-10-3-2-9-19(20)23(27)29/h2-3,6-10,13,16,21H,4-5,11-12,14-15H2,1H3,(H,24,28)/p+1/t21-/m0/s1