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

Systemtic Name: N-(furan-2-ylmethyl)-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]quinazolin-3-ium-4-amine Openeye Name: 2-(4-benzylpiperazin-4-ium-1-yl)-N-(2-furylmethyl)quinazolin-3-ium-4-amine CAS Name: N-(2-furanylmethyl)-2-[4-(phenylmethyl)-1-piperazin-4-iumyl]-4-quinazolin-3-iumamine IUPAC Name: 2-(4-benzylpiperazin-4-ium-1-yl)-N-(furan-2-ylmethyl)quinazolin-3-ium-4-amine Traditional Name: [2-(4-benzylpiperazin-4-ium-1-yl)quinazolin-3-ium-4-yl]-(2-furfuryl)amine Formula: C24H27N5O+2 MolecularWeight: 401.50408

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C3=NC4=CC=CC=C4C(=[NH+]3)NCC5=CC=CO5

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C3=NC4=CC=CC=C4C(=[NH+]3)NCC5=CC=CO5

InChI

InChI=1S/C24H25N5O/c1-2-7-19(8-3-1)18-28-12-14-29(15-13-28)24-26-22-11-5-4-10-21(22)23(27-24)25-17-20-9-6-16-30-20/h1-11,16H,12-15,17-18H2,(H,25,26,27)/p+2