3-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propan-1-one

Systemtic Name: 3-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propan-1-one Openeye Name: 3-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propan-1-one CAS Name: 3-[4-(4-nitrophenyl)-1-piperazin-1-iumyl]-1-[4-(2-pyridin-1-iumyl)-1-piperazinyl]-1-propanone IUPAC Name: 3-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propan-1-one Traditional Name: 3-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]-1-(4-pyridin-1-ium-2-ylpiperazino)propan-1-one Formula: C22H30N6O3+2 MolecularWeight: 426.512

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCC(=O)N2CCN(CC2)C3=CC=CC=[NH+]3)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1CCC(=O)N2CCN(CC2)C3=CC=CC=[NH+]3)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H28N6O3/c29-22(27-17-15-26(16-18-27)21-3-1-2-9-23-21)8-10-24-11-13-25(14-12-24)19-4-6-20(7-5-19)28(30)31/h1-7,9H,8,10-18H2/p+2