N-(furan-2-ylmethyl)-2-[4-[2-(4-methylphenoxy)ethyl]piperazin-4-ium-1-yl]quinazolin-3-ium-4-amine

Systemtic Name: N-(furan-2-ylmethyl)-2-[4-[2-(4-methylphenoxy)ethyl]piperazin-4-ium-1-yl]quinazolin-3-ium-4-amine Openeye Name: N-(2-furylmethyl)-2-[4-[2-(4-methylphenoxy)ethyl]piperazin-4-ium-1-yl]quinazolin-3-ium-4-amine CAS Name: N-(2-furanylmethyl)-2-[4-[2-(4-methylphenoxy)ethyl]-1-piperazin-4-iumyl]-4-quinazolin-3-iumamine IUPAC Name: N-(furan-2-ylmethyl)-2-[4-[2-(4-methylphenoxy)ethyl]piperazin-4-ium-1-yl]quinazolin-3-ium-4-amine Traditional Name: 2-furfuryl-[2-[4-[2-(4-methylphenoxy)ethyl]piperazin-4-ium-1-yl]quinazolin-3-ium-4-yl]amine Formula: C26H31N5O2+2 MolecularWeight: 445.55664

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OCC[NH+]2CCN(CC2)C3=NC4=CC=CC=C4C(=[NH+]3)NCC5=CC=CO5

Isomeric SMILES

CC1=CC=C(C=C1)OCC[NH+]2CCN(CC2)C3=NC4=CC=CC=C4C(=[NH+]3)NCC5=CC=CO5

InChI

InChI=1S/C26H29N5O2/c1-20-8-10-21(11-9-20)33-18-16-30-12-14-31(15-13-30)26-28-24-7-3-2-6-23(24)25(29-26)27-19-22-5-4-17-32-22/h2-11,17H,12-16,18-19H2,1H3,(H,27,28,29)/p+2