N-[2-(piperidin-1-ium-1-ylmethyl)quinazolin-4-yl]-1-benzofuran-2-carboxamide

Systemtic Name: N-[2-(piperidin-1-ium-1-ylmethyl)quinazolin-4-yl]-1-benzofuran-2-carboxamide Openeye Name: N-[2-(piperidin-1-ium-1-ylmethyl)quinazolin-4-yl]benzofuran-2-carboxamide CAS Name: N-[2-(1-piperidin-1-iumylmethyl)-4-quinazolinyl]-2-benzofurancarboxamide IUPAC Name: N-[2-(piperidin-1-ium-1-ylmethyl)quinazolin-4-yl]-1-benzofuran-2-carboxamide Traditional Name: N-[2-(piperidin-1-ium-1-ylmethyl)quinazolin-4-yl]coumarilamide Formula: C23H23N4O2+ MolecularWeight: 387.45432

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC2=NC3=CC=CC=C3C(=N2)NC(=O)C4=CC5=CC=CC=C5O4

Isomeric SMILES

C1CC[NH+](CC1)CC2=NC3=CC=CC=C3C(=N2)NC(=O)C4=CC5=CC=CC=C5O4

InChI

InChI=1S/C23H22N4O2/c28-23(20-14-16-8-2-5-11-19(16)29-20)26-22-17-9-3-4-10-18(17)24-21(25-22)15-27-12-6-1-7-13-27/h2-5,8-11,14H,1,6-7,12-13,15H2,(H,24,25,26,28)/p+1