2-[2,4-bis(oxidanylidene)-3-(phenylmethyl)quinazolin-1-yl]-N-(2-pyrrolidin-1-ium-1-ylethyl)ethanamide

Systemtic Name: 2-[2,4-bis(oxidanylidene)-3-(phenylmethyl)quinazolin-1-yl]-N-(2-pyrrolidin-1-ium-1-ylethyl)ethanamide Openeye Name: 2-(3-benzyl-2,4-dioxo-quinazolin-1-yl)-N-(2-pyrrolidin-1-ium-1-ylethyl)acetamide CAS Name: 2-[2,4-dioxo-3-(phenylmethyl)-1-quinazolinyl]-N-[2-(1-pyrrolidin-1-iumyl)ethyl]acetamide IUPAC Name: 2-(3-benzyl-2,4-dioxoquinazolin-1-yl)-N-(2-pyrrolidin-1-ium-1-ylethyl)acetamide Traditional Name: 2-(3-benzyl-2,4-diketo-quinazolin-1-yl)-N-(2-pyrrolidin-1-ium-1-ylethyl)acetamide Formula: C23H27N4O3+ MolecularWeight: 407.48548

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CCNC(=O)CN2C3=CC=CC=C3C(=O)N(C2=O)CC4=CC=CC=C4

Isomeric SMILES

C1CC[NH+](C1)CCNC(=O)CN2C3=CC=CC=C3C(=O)N(C2=O)CC4=CC=CC=C4

InChI

InChI=1S/C23H26N4O3/c28-21(24-12-15-25-13-6-7-14-25)17-26-20-11-5-4-10-19(20)22(29)27(23(26)30)16-18-8-2-1-3-9-18/h1-5,8-11H,6-7,12-17H2,(H,24,28)/p+1