[4-(4-methoxyphenyl)piperazin-1-yl]-(5-nitro-2-piperazin-4-ium-1-yl-phenyl)methanone

Systemtic Name: [4-(4-methoxyphenyl)piperazin-1-yl]-(5-nitro-2-piperazin-4-ium-1-yl-phenyl)methanone Openeye Name: [4-(4-methoxyphenyl)piperazin-1-yl]-(5-nitro-2-piperazin-4-ium-1-yl-phenyl)methanone CAS Name: [4-(4-methoxyphenyl)-1-piperazinyl]-[5-nitro-2-(1-piperazin-4-iumyl)phenyl]methanone IUPAC Name: [4-(4-methoxyphenyl)piperazin-1-yl]-(5-nitro-2-piperazin-4-ium-1-ylphenyl)methanone Traditional Name: [4-(4-methoxyphenyl)piperazino]-(5-nitro-2-piperazin-4-ium-1-yl-phenyl)methanone Formula: C22H28N5O4+ MolecularWeight: 426.48882

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CCN(CC2)C(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N4CC[NH2+]CC4

Isomeric SMILES

COC1=CC=C(C=C1)N2CCN(CC2)C(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N4CC[NH2+]CC4

InChI

InChI=1S/C22H27N5O4/c1-31-19-5-2-17(3-6-19)24-12-14-26(15-13-24)22(28)20-16-18(27(29)30)4-7-21(20)25-10-8-23-9-11-25/h2-7,16,23H,8-15H2,1H3/p+1