[(1S)-4,5-dimethoxy-3-oxidanylidene-1H-2-benzofuran-1-yl]-(2-piperazine-1,4-diium-1-ylethyl)azanium

Systemtic Name: [(1S)-4,5-dimethoxy-3-oxidanylidene-1H-2-benzofuran-1-yl]-(2-piperazine-1,4-diium-1-ylethyl)azanium Openeye Name: [(1S)-4,5-dimethoxy-3-oxo-1H-isobenzofuran-1-yl]-(2-piperazine-1,4-diium-1-ylethyl)ammonium CAS Name: [(1S)-4,5-dimethoxy-3-oxo-1H-isobenzofuran-1-yl]-[2-(1-piperazine-1,4-diiumyl)ethyl]ammonium IUPAC Name: [(1S)-4,5-dimethoxy-3-oxo-1H-2-benzofuran-1-yl]-(2-piperazine-1,4-diium-1-ylethyl)azanium Traditional Name: [(1S)-3-keto-4,5-dimethoxy-phthalan-1-yl]-(2-piperazine-1,4-diium-1-ylethyl)ammonium Formula: C16H26N3O4+3 MolecularWeight: 324.39534

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C2=C(C=C1)C(OC2=O)[NH2+]CC[NH+]3CC[NH2+]CC3)OC

Isomeric SMILES

COC1=C(C2=C(C=C1)[C@H](OC2=O)[NH2+]CC[NH+]3CC[NH2+]CC3)OC

InChI

InChI=1S/C16H23N3O4/c1-21-12-4-3-11-13(14(12)22-2)16(20)23-15(11)18-7-10-19-8-5-17-6-9-19/h3-4,15,17-18H,5-10H2,1-2H3/p+3/t15-/m0/s1