N-(furan-2-ylmethyl)-2-piperidin-1-ium-1-yl-quinazolin-4-amine

Systemtic Name: N-(furan-2-ylmethyl)-2-piperidin-1-ium-1-yl-quinazolin-4-amine Openeye Name: N-(2-furylmethyl)-2-piperidin-1-ium-1-yl-quinazolin-4-amine CAS Name: N-(2-furanylmethyl)-2-(1-piperidin-1-iumyl)-4-quinazolinamine IUPAC Name: N-(furan-2-ylmethyl)-2-piperidin-1-ium-1-ylquinazolin-4-amine Traditional Name: 2-furfuryl-(2-piperidin-1-ium-1-ylquinazolin-4-yl)amine Formula: C18H21N4O+ MolecularWeight: 309.38554

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)C2=NC3=CC=CC=C3C(=N2)NCC4=CC=CO4

Isomeric SMILES

C1CC[NH+](CC1)C2=NC3=CC=CC=C3C(=N2)NCC4=CC=CO4

InChI

InChI=1S/C18H20N4O/c1-4-10-22(11-5-1)18-20-16-9-3-2-8-15(16)17(21-18)19-13-14-7-6-12-23-14/h2-3,6-9,12H,1,4-5,10-11,13H2,(H,19,20,21)/p+1