(2-azaniumyl-3-oxidanyl-4-oxidanylidene-cyclobut-2-en-1-ylidene)-[3-[3-(piperidin-1-ium-1-ylmethyl)phenoxy]propyl]azanium

Systemtic Name: (2-azaniumyl-3-oxidanyl-4-oxidanylidene-cyclobut-2-en-1-ylidene)-[3-[3-(piperidin-1-ium-1-ylmethyl)phenoxy]propyl]azanium Openeye Name: (2-azaniumyl-3-hydroxy-4-oxo-cyclobut-2-en-1-ylidene)-[3-[3-(piperidin-1-ium-1-ylmethyl)phenoxy]propyl]ammonium CAS Name: (2-ammonio-3-hydroxy-4-oxo-1-cyclobut-2-enylidene)-[3-[3-(1-piperidin-1-iumylmethyl)phenoxy]propyl]ammonium IUPAC Name: (2-azaniumyl-3-hydroxy-4-oxocyclobut-2-en-1-ylidene)-[3-[3-(piperidin-1-ium-1-ylmethyl)phenoxy]propyl]azanium Traditional Name: (2-ammonio-3-hydroxy-4-keto-cyclobut-2-en-1-ylidene)-[3-[3-(piperidin-1-ium-1-ylmethyl)phenoxy]propyl]ammonium Formula: C19H28N3O3+3 MolecularWeight: 346.44392

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC2=CC(=CC=C2)OCCC[NH+]=C3C(=C(C3=O)O)[NH3+]

Isomeric SMILES

C1CC[NH+](CC1)CC2=CC(=CC=C2)OCCC[NH+]=C3C(=C(C3=O)O)[NH3+]

InChI

InChI=1S/C19H25N3O3/c20-16-17(19(24)18(16)23)21-8-5-11-25-15-7-4-6-14(12-15)13-22-9-2-1-3-10-22/h4,6-7,12,23H,1-3,5,8-11,13,20H2/p+3