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

Systemtic Name: N-[(2S)-2-(2-chlorophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-2-(4-oxidanylidenequinazolin-3-yl)ethanamide Openeye Name: N-[(2S)-2-(2-chlorophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-2-(4-oxoquinazolin-3-yl)acetamide CAS Name: N-[(2S)-2-(2-chlorophenyl)-2-(1-pyrrolidin-1-iumyl)ethyl]-2-(4-oxo-3-quinazolinyl)acetamide IUPAC Name: N-[(2S)-2-(2-chlorophenyl)-2-pyrrolidin-1-ium-1-ylethyl]-2-(4-oxoquinazolin-3-yl)acetamide Traditional Name: N-[(2S)-2-(2-chlorophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-2-(4-ketoquinazolin-3-yl)acetamide Formula: C22H24ClN4O2+ MolecularWeight: 411.90456

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)C(CNC(=O)CN2C=NC3=CC=CC=C3C2=O)C4=CC=CC=C4Cl

Isomeric SMILES

C1CC[NH+](C1)[C@H](CNC(=O)CN2C=NC3=CC=CC=C3C2=O)C4=CC=CC=C4Cl

InChI

InChI=1S/C22H23ClN4O2/c23-18-9-3-1-7-16(18)20(26-11-5-6-12-26)13-24-21(28)14-27-15-25-19-10-4-2-8-17(19)22(27)29/h1-4,7-10,15,20H,5-6,11-14H2,(H,24,28)/p+1/t20-/m1/s1