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

Systemtic Name: 3-piperazin-4-ium-1-yl-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propan-1-one Openeye Name: 3-piperazin-4-ium-1-yl-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propan-1-one CAS Name: 3-(1-piperazin-4-iumyl)-1-[4-(2-pyridin-1-iumyl)-1-piperazinyl]-1-propanone IUPAC Name: 3-piperazin-4-ium-1-yl-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propan-1-one Traditional Name: 3-piperazin-4-ium-1-yl-1-(4-pyridin-1-ium-2-ylpiperazino)propan-1-one Formula: C16H27N5O+2 MolecularWeight: 305.41848

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH2+]1)CCC(=O)N2CCN(CC2)C3=CC=CC=[NH+]3

Isomeric SMILES

C1CN(CC[NH2+]1)CCC(=O)N2CCN(CC2)C3=CC=CC=[NH+]3

InChI

InChI=1S/C16H25N5O/c22-16(4-8-19-9-6-17-7-10-19)21-13-11-20(12-14-21)15-3-1-2-5-18-15/h1-3,5,17H,4,6-14H2/p+2