1-[[3-(furan-2-ylmethyl)-4-oxidanylidene-quinazolin-2-yl]methyl]-N-methyl-piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[[3-(furan-2-ylmethyl)-4-oxidanylidene-quinazolin-2-yl]methyl]-N-methyl-piperidin-1-ium-4-carboxamide Openeye Name: 1-[[3-(2-furylmethyl)-4-oxo-quinazolin-2-yl]methyl]-N-methyl-piperidin-1-ium-4-carboxamide CAS Name: 1-[[3-(2-furanylmethyl)-4-oxo-2-quinazolinyl]methyl]-N-methyl-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[[3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]methyl]-N-methylpiperidin-1-ium-4-carboxamide Traditional Name: 1-[[3-(2-furfuryl)-4-keto-quinazolin-2-yl]methyl]-N-methyl-piperidin-1-ium-4-carboxamide Formula: C21H25N4O3+ MolecularWeight: 381.4482

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1CC[NH+](CC1)CC2=NC3=CC=CC=C3C(=O)N2CC4=CC=CO4

Isomeric SMILES

CNC(=O)C1CC[NH+](CC1)CC2=NC3=CC=CC=C3C(=O)N2CC4=CC=CO4

InChI

InChI=1S/C21H24N4O3/c1-22-20(26)15-8-10-24(11-9-15)14-19-23-18-7-3-2-6-17(18)21(27)25(19)13-16-5-4-12-28-16/h2-7,12,15H,8-11,13-14H2,1H3,(H,22,26)/p+1