N-(2-methyl-2-piperidin-1-ium-1-yl-propyl)-9-oxidanylidene-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide

Systemtic Name: N-(2-methyl-2-piperidin-1-ium-1-yl-propyl)-9-oxidanylidene-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide Openeye Name: N-(2-methyl-2-piperidin-1-ium-1-yl-propyl)-9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide CAS Name: N-[2-methyl-2-(1-piperidin-1-iumyl)propyl]-9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide IUPAC Name: N-(2-methyl-2-piperidin-1-ium-1-ylpropyl)-9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide Traditional Name: 9-keto-N-(2-methyl-2-piperidin-1-ium-1-yl-propyl)-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide Formula: C21H29N4O2+ MolecularWeight: 369.48056

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CNC(=O)C1=CC2=C(C=C1)C(=O)N3CCCC3=N2)[NH+]4CCCCC4

Isomeric SMILES

CC(C)(CNC(=O)C1=CC2=C(C=C1)C(=O)N3CCCC3=N2)[NH+]4CCCCC4

InChI

InChI=1S/C21H28N4O2/c1-21(2,24-10-4-3-5-11-24)14-22-19(26)15-8-9-16-17(13-15)23-18-7-6-12-25(18)20(16)27/h8-9,13H,3-7,10-12,14H2,1-2H3,(H,22,26)/p+1