2-ethoxy-N-[2-(piperidin-1-ium-1-ylmethyl)quinazolin-4-yl]pyridine-3-carboxamide

Systemtic Name: 2-ethoxy-N-[2-(piperidin-1-ium-1-ylmethyl)quinazolin-4-yl]pyridine-3-carboxamide Openeye Name: 2-ethoxy-N-[2-(piperidin-1-ium-1-ylmethyl)quinazolin-4-yl]pyridine-3-carboxamide CAS Name: 2-ethoxy-N-[2-(1-piperidin-1-iumylmethyl)-4-quinazolinyl]-3-pyridinecarboxamide IUPAC Name: 2-ethoxy-N-[2-(piperidin-1-ium-1-ylmethyl)quinazolin-4-yl]pyridine-3-carboxamide Traditional Name: 2-ethoxy-N-[2-(piperidin-1-ium-1-ylmethyl)quinazolin-4-yl]nicotinamide Formula: C22H26N5O2+ MolecularWeight: 392.47414

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC=N1)C(=O)NC2=NC(=NC3=CC=CC=C32)C[NH+]4CCCCC4

Isomeric SMILES

CCOC1=C(C=CC=N1)C(=O)NC2=NC(=NC3=CC=CC=C32)C[NH+]4CCCCC4

InChI

InChI=1S/C22H25N5O2/c1-2-29-22-17(10-8-12-23-22)21(28)26-20-16-9-4-5-11-18(16)24-19(25-20)15-27-13-6-3-7-14-27/h4-5,8-12H,2-3,6-7,13-15H2,1H3,(H,24,25,26,28)/p+1