1,4-bis(4-pyridin-1-ium-2-ylpiperazin-1-yl)butane-1,4-dione

Systemtic Name: 1,4-bis(4-pyridin-1-ium-2-ylpiperazin-1-yl)butane-1,4-dione Openeye Name: 1,4-bis(4-pyridin-1-ium-2-ylpiperazin-1-yl)butane-1,4-dione CAS Name: 1,4-bis[4-(2-pyridin-1-iumyl)-1-piperazinyl]butane-1,4-dione IUPAC Name: 1,4-bis(4-pyridin-1-ium-2-ylpiperazin-1-yl)butane-1,4-dione Traditional Name: 1,4-bis(4-pyridin-1-ium-2-ylpiperazino)butane-1,4-dione Formula: C22H30N6O2+2 MolecularWeight: 410.5126

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)CCC(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)CCC(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C22H28N6O2/c29-21(27-15-11-25(12-16-27)19-5-1-3-9-23-19)7-8-22(30)28-17-13-26(14-18-28)20-6-2-4-10-24-20/h1-6,9-10H,7-8,11-18H2/p+2