[4-oxidanylidene-4-[[5-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyridin-2-yl]amino]butyl]azanium

Systemtic Name: [4-oxidanylidene-4-[[5-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyridin-2-yl]amino]butyl]azanium Openeye Name: [4-oxo-4-[[5-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-2-pyridyl]amino]butyl]ammonium CAS Name: [4-oxo-4-[[5-[4-(2-pyridin-1-iumyl)-1-piperazinyl]-2-pyridinyl]amino]butyl]ammonium IUPAC Name: [4-oxo-4-[[5-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyridin-2-yl]amino]butyl]azanium Traditional Name: [4-keto-4-[[5-(4-pyridin-1-ium-2-ylpiperazino)-2-pyridyl]amino]butyl]ammonium Formula: C18H26N6O+2 MolecularWeight: 342.43864

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CN=C(C=C2)NC(=O)CCC[NH3+])C3=CC=CC=[NH+]3

Isomeric SMILES

C1CN(CCN1C2=CN=C(C=C2)NC(=O)CCC[NH3+])C3=CC=CC=[NH+]3

InChI

InChI=1S/C18H24N6O/c19-8-3-5-18(25)22-16-7-6-15(14-21-16)23-10-12-24(13-11-23)17-4-1-2-9-20-17/h1-2,4,6-7,9,14H,3,5,8,10-13,19H2,(H,21,22,25)/p+2