4-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)butylazanium

Systemtic Name: 4-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)butylazanium Openeye Name: 4-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)butylammonium CAS Name: 4-[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]butylammonium IUPAC Name: 4-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)butylazanium Traditional Name: 4-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)butylammonium Formula: C13H25N4+3 MolecularWeight: 237.3644

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCCC[NH3+])C2=CC=CC=[NH+]2

Isomeric SMILES

C1CN(CC[NH+]1CCCC[NH3+])C2=CC=CC=[NH+]2

InChI

InChI=1S/C13H22N4/c14-6-2-4-8-16-9-11-17(12-10-16)13-5-1-3-7-15-13/h1,3,5,7H,2,4,6,8-12,14H2/p+3