[4-oxidanylidene-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)butyl]azanium

Systemtic Name: [4-oxidanylidene-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)butyl]azanium Openeye Name: [4-oxo-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)butyl]ammonium CAS Name: [4-oxo-4-[4-(2-pyridin-1-iumyl)-1-piperazinyl]butyl]ammonium IUPAC Name: [4-oxo-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)butyl]azanium Traditional Name: [4-keto-4-(4-pyridin-1-ium-2-ylpiperazino)butyl]ammonium Formula: C13H22N4O+2 MolecularWeight: 250.33998

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)CCC[NH3+]

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)CCC[NH3+]

InChI

InChI=1S/C13H20N4O/c14-6-3-5-13(18)17-10-8-16(9-11-17)12-4-1-2-7-15-12/h1-2,4,7H,3,5-6,8-11,14H2/p+2