N-(1,3-benzodioxol-5-yl)-1-[(1R)-1-(4-oxidanylidene-1H-quinazolin-2-yl)ethyl]piperidin-1-ium-4-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-1-[(1R)-1-(4-oxidanylidene-1H-quinazolin-2-yl)ethyl]piperidin-1-ium-4-carboxamide Openeye Name: N-(1,3-benzodioxol-5-yl)-1-[(1R)-1-(4-oxo-1H-quinazolin-2-yl)ethyl]piperidin-1-ium-4-carboxamide CAS Name: N-(1,3-benzodioxol-5-yl)-1-[(1R)-1-(4-oxo-1H-quinazolin-2-yl)ethyl]-4-piperidin-1-iumcarboxamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-1-[(1R)-1-(4-oxo-1H-quinazolin-2-yl)ethyl]piperidin-1-ium-4-carboxamide Traditional Name: N-(1,3-benzodioxol-5-yl)-1-[(1R)-1-(4-keto-1H-quinazolin-2-yl)ethyl]piperidin-1-ium-4-carboxamide Formula: C23H25N4O4+ MolecularWeight: 421.469

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC(=O)C2=CC=CC=C2N1)[NH+]3CCC(CC3)C(=O)NC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C[C@H](C1=NC(=O)C2=CC=CC=C2N1)[NH+]3CCC(CC3)C(=O)NC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C23H24N4O4/c1-14(21-25-18-5-3-2-4-17(18)23(29)26-21)27-10-8-15(9-11-27)22(28)24-16-6-7-19-20(12-16)31-13-30-19/h2-7,12,14-15H,8-11,13H2,1H3,(H,24,28)(H,25,26,29)/p+1/t14-/m1/s1