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

Systemtic Name: (3S)-1-[[3-(furan-2-ylmethyl)-4-oxidanylidene-quinazolin-2-yl]methyl]-N-phenyl-piperidin-1-ium-3-carboxamide Openeye Name: (3S)-1-[[3-(2-furylmethyl)-4-oxo-quinazolin-2-yl]methyl]-N-phenyl-piperidin-1-ium-3-carboxamide CAS Name: (3S)-1-[[3-(2-furanylmethyl)-4-oxo-2-quinazolinyl]methyl]-N-phenyl-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-1-[[3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]methyl]-N-phenylpiperidin-1-ium-3-carboxamide Traditional Name: (3S)-1-[[3-(2-furfuryl)-4-keto-quinazolin-2-yl]methyl]-N-phenyl-piperidin-1-ium-3-carboxamide Formula: C26H27N4O3+ MolecularWeight: 443.51758

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=NC3=CC=CC=C3C(=O)N2CC4=CC=CO4)C(=O)NC5=CC=CC=C5

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=NC3=CC=CC=C3C(=O)N2CC4=CC=CO4)C(=O)NC5=CC=CC=C5

InChI

InChI=1S/C26H26N4O3/c31-25(27-20-9-2-1-3-10-20)19-8-6-14-29(16-19)18-24-28-23-13-5-4-12-22(23)26(32)30(24)17-21-11-7-15-33-21/h1-5,7,9-13,15,19H,6,8,14,16-18H2,(H,27,31)/p+1/t19-/m0/s1