[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-yl]-(2-pyrrolidin-1-ylpyridin-1-ium-3-yl)methanone

Systemtic Name: [4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-yl]-(2-pyrrolidin-1-ylpyridin-1-ium-3-yl)methanone Openeye Name: [4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazin-4-ium-1-yl]-(2-pyrrolidin-1-ylpyridin-1-ium-3-yl)methanone CAS Name: [4-(2,3-dihydrobenzofuran-5-ylmethyl)-1-piperazin-4-iumyl]-[2-(1-pyrrolidinyl)-3-pyridin-1-iumyl]methanone IUPAC Name: [4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-yl]-(2-pyrrolidin-1-ylpyridin-1-ium-3-yl)methanone Traditional Name: [4-(coumaran-5-ylmethyl)piperazin-4-ium-1-yl]-(2-pyrrolidinopyridin-1-ium-3-yl)methanone Formula: C23H30N4O2+2 MolecularWeight: 394.5099

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=CC=[NH+]2)C(=O)N3CC[NH+](CC3)CC4=CC5=C(C=C4)OCC5

Isomeric SMILES

C1CCN(C1)C2=C(C=CC=[NH+]2)C(=O)N3CC[NH+](CC3)CC4=CC5=C(C=C4)OCC5

InChI

InChI=1S/C23H28N4O2/c28-23(20-4-3-8-24-22(20)26-9-1-2-10-26)27-13-11-25(12-14-27)17-18-5-6-21-19(16-18)7-15-29-21/h3-6,8,16H,1-2,7,9-15,17H2/p+2