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

Systemtic Name: N-(furan-2-ylmethyl)-2-[4-[2-(3-methoxyphenoxy)ethyl]piperazin-4-ium-1-yl]quinazolin-3-ium-4-amine Openeye Name: N-(2-furylmethyl)-2-[4-[2-(3-methoxyphenoxy)ethyl]piperazin-4-ium-1-yl]quinazolin-3-ium-4-amine CAS Name: N-(2-furanylmethyl)-2-[4-[2-(3-methoxyphenoxy)ethyl]-1-piperazin-4-iumyl]-4-quinazolin-3-iumamine IUPAC Name: N-(furan-2-ylmethyl)-2-[4-[2-(3-methoxyphenoxy)ethyl]piperazin-4-ium-1-yl]quinazolin-3-ium-4-amine Traditional Name: 2-furfuryl-[2-[4-[2-(3-methoxyphenoxy)ethyl]piperazin-4-ium-1-yl]quinazolin-3-ium-4-yl]amine Formula: C26H31N5O3+2 MolecularWeight: 461.55604

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC=C1)OCC[NH+]2CCN(CC2)C3=NC4=CC=CC=C4C(=[NH+]3)NCC5=CC=CO5

Isomeric SMILES

COC1=CC(=CC=C1)OCC[NH+]2CCN(CC2)C3=NC4=CC=CC=C4C(=[NH+]3)NCC5=CC=CO5

InChI

InChI=1S/C26H29N5O3/c1-32-20-6-4-7-21(18-20)34-17-15-30-11-13-31(14-12-30)26-28-24-10-3-2-9-23(24)25(29-26)27-19-22-8-5-16-33-22/h2-10,16,18H,11-15,17,19H2,1H3,(H,27,28,29)/p+2