furan-2-yl-[4-[4-nitro-3-[4-(phenylmethyl)piperazin-4-ium-1-yl]phenyl]piperazin-1-yl]methanone

Systemtic Name: furan-2-yl-[4-[4-nitro-3-[4-(phenylmethyl)piperazin-4-ium-1-yl]phenyl]piperazin-1-yl]methanone Openeye Name: [4-[3-(4-benzylpiperazin-4-ium-1-yl)-4-nitro-phenyl]piperazin-1-yl]-(2-furyl)methanone CAS Name: 2-furanyl-[4-[4-nitro-3-[4-(phenylmethyl)-1-piperazin-4-iumyl]phenyl]-1-piperazinyl]methanone IUPAC Name: [4-[3-(4-benzylpiperazin-4-ium-1-yl)-4-nitrophenyl]piperazin-1-yl]-(furan-2-yl)methanone Traditional Name: [4-[3-(4-benzylpiperazin-4-ium-1-yl)-4-nitro-phenyl]piperazino]-(2-furyl)methanone Formula: C26H30N5O4+ MolecularWeight: 476.5475

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C3=C(C=CC(=C3)N4CCN(CC4)C(=O)C5=CC=CO5)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C3=C(C=CC(=C3)N4CCN(CC4)C(=O)C5=CC=CO5)[N+](=O)[O-]

InChI

InChI=1S/C26H29N5O4/c32-26(25-7-4-18-35-25)30-16-14-28(15-17-30)22-8-9-23(31(33)34)24(19-22)29-12-10-27(11-13-29)20-21-5-2-1-3-6-21/h1-9,18-19H,10-17,20H2/p+1