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

Systemtic Name: N-(1,3-benzodioxol-5-yl)-1-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]piperidin-1-ium-4-carboxamide Openeye Name: N-(1,3-benzodioxol-5-yl)-1-[(4-oxo-1H-quinazolin-2-yl)methyl]piperidin-1-ium-4-carboxamide CAS Name: N-(1,3-benzodioxol-5-yl)-1-[(4-oxo-1H-quinazolin-2-yl)methyl]-4-piperidin-1-iumcarboxamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-1-[(4-oxo-1H-quinazolin-2-yl)methyl]piperidin-1-ium-4-carboxamide Traditional Name: N-(1,3-benzodioxol-5-yl)-1-[(4-keto-1H-quinazolin-2-yl)methyl]piperidin-1-ium-4-carboxamide Formula: C22H23N4O4+ MolecularWeight: 407.44242

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)NC2=CC3=C(C=C2)OCO3)CC4=NC(=O)C5=CC=CC=C5N4

Isomeric SMILES

C1C[NH+](CCC1C(=O)NC2=CC3=C(C=C2)OCO3)CC4=NC(=O)C5=CC=CC=C5N4

InChI

InChI=1S/C22H22N4O4/c27-21(23-15-5-6-18-19(11-15)30-13-29-18)14-7-9-26(10-8-14)12-20-24-17-4-2-1-3-16(17)22(28)25-20/h1-6,11,14H,7-10,12-13H2,(H,23,27)(H,24,25,28)/p+1