N-[1-(phenylmethyl)piperidin-1-ium-4-yl]-2-pyridin-3-yl-quinazolin-4-amine

Systemtic Name: N-[1-(phenylmethyl)piperidin-1-ium-4-yl]-2-pyridin-3-yl-quinazolin-4-amine Openeye Name: N-(1-benzylpiperidin-1-ium-4-yl)-2-(3-pyridyl)quinazolin-4-amine CAS Name: N-[1-(phenylmethyl)-4-piperidin-1-iumyl]-2-(3-pyridinyl)-4-quinazolinamine IUPAC Name: N-(1-benzylpiperidin-1-ium-4-yl)-2-pyridin-3-ylquinazolin-4-amine Traditional Name: (1-benzylpiperidin-1-ium-4-yl)-[2-(3-pyridyl)quinazolin-4-yl]amine Formula: C25H26N5+ MolecularWeight: 396.50744

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1NC2=NC(=NC3=CC=CC=C32)C4=CN=CC=C4)CC5=CC=CC=C5

Isomeric SMILES

C1C[NH+](CCC1NC2=NC(=NC3=CC=CC=C32)C4=CN=CC=C4)CC5=CC=CC=C5

InChI

InChI=1S/C25H25N5/c1-2-7-19(8-3-1)18-30-15-12-21(13-16-30)27-25-22-10-4-5-11-23(22)28-24(29-25)20-9-6-14-26-17-20/h1-11,14,17,21H,12-13,15-16,18H2,(H,27,28,29)/p+1