1-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazine-1,4-diium

Systemtic Name: 1-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazine-1,4-diium Openeye Name: 1-(2,3-dihydrobenzofuran-5-ylmethyl)piperazine-1,4-diium CAS Name: 1-(2,3-dihydrobenzofuran-5-ylmethyl)piperazine-1,4-diium IUPAC Name: 1-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazine-1,4-diium Traditional Name: 1-(coumaran-5-ylmethyl)piperazine-1,4-diium Formula: C13H20N2O+2 MolecularWeight: 220.3107

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C1C=C(C=C2)C[NH+]3CC[NH2+]CC3

Isomeric SMILES

C1COC2=C1C=C(C=C2)C[NH+]3CC[NH2+]CC3

InChI

InChI=1S/C13H18N2O/c1-2-13-12(3-8-16-13)9-11(1)10-15-6-4-14-5-7-15/h1-2,9,14H,3-8,10H2/p+2