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

Systemtic Name: N-(furan-2-ylmethyl)-2-(4-methylpiperazin-4-ium-1-yl)quinazolin-4-amine Openeye Name: N-(2-furylmethyl)-2-(4-methylpiperazin-4-ium-1-yl)quinazolin-4-amine CAS Name: N-(2-furanylmethyl)-2-(4-methyl-1-piperazin-4-iumyl)-4-quinazolinamine IUPAC Name: N-(furan-2-ylmethyl)-2-(4-methylpiperazin-4-ium-1-yl)quinazolin-4-amine Traditional Name: 2-furfuryl-[2-(4-methylpiperazin-4-ium-1-yl)quinazolin-4-yl]amine Formula: C18H22N5O+ MolecularWeight: 324.40018

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=NC3=CC=CC=C3C(=N2)NCC4=CC=CO4

Isomeric SMILES

C[NH+]1CCN(CC1)C2=NC3=CC=CC=C3C(=N2)NCC4=CC=CO4

InChI

InChI=1S/C18H21N5O/c1-22-8-10-23(11-9-22)18-20-16-7-3-2-6-15(16)17(21-18)19-13-14-5-4-12-24-14/h2-7,12H,8-11,13H2,1H3,(H,19,20,21)/p+1