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

Systemtic Name: 3-(4-pyrazin-2-ylpiperazin-1-ium-1-yl)-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propan-1-one Openeye Name: 3-(4-pyrazin-2-ylpiperazin-1-ium-1-yl)-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propan-1-one CAS Name: 3-[4-(2-pyrazinyl)-1-piperazin-1-iumyl]-1-[4-(2-pyridin-1-iumyl)-1-piperazinyl]-1-propanone IUPAC Name: 3-(4-pyrazin-2-ylpiperazin-1-ium-1-yl)-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propan-1-one Traditional Name: 3-(4-pyrazin-2-ylpiperazin-1-ium-1-yl)-1-(4-pyridin-1-ium-2-ylpiperazino)propan-1-one Formula: C20H29N7O+2 MolecularWeight: 383.49056

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCC(=O)N2CCN(CC2)C3=CC=CC=[NH+]3)C4=NC=CN=C4

Isomeric SMILES

C1CN(CC[NH+]1CCC(=O)N2CCN(CC2)C3=CC=CC=[NH+]3)C4=NC=CN=C4

InChI

InChI=1S/C20H27N7O/c28-20(27-15-13-25(14-16-27)18-3-1-2-5-22-18)4-8-24-9-11-26(12-10-24)19-17-21-6-7-23-19/h1-3,5-7,17H,4,8-16H2/p+2