[5-[(4-methyl-2-nitro-phenoxy)methyl]furan-2-yl]-[4-(phenylmethyl)piperazin-4-ium-1-yl]methanone

Systemtic Name: [5-[(4-methyl-2-nitro-phenoxy)methyl]furan-2-yl]-[4-(phenylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: (4-benzylpiperazin-4-ium-1-yl)-[5-[(4-methyl-2-nitro-phenoxy)methyl]-2-furyl]methanone CAS Name: [5-[(4-methyl-2-nitrophenoxy)methyl]-2-furanyl]-[4-(phenylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: (4-benzylpiperazin-4-ium-1-yl)-[5-[(4-methyl-2-nitrophenoxy)methyl]furan-2-yl]methanone Traditional Name: (4-benzylpiperazin-4-ium-1-yl)-[5-[(4-methyl-2-nitro-phenoxy)methyl]-2-furyl]methanone Formula: C24H26N3O5+ MolecularWeight: 436.48034

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OCC2=CC=C(O2)C(=O)N3CC[NH+](CC3)CC4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)OCC2=CC=C(O2)C(=O)N3CC[NH+](CC3)CC4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C24H25N3O5/c1-18-7-9-22(21(15-18)27(29)30)31-17-20-8-10-23(32-20)24(28)26-13-11-25(12-14-26)16-19-5-3-2-4-6-19/h2-10,15H,11-14,16-17H2,1H3/p+1