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

Systemtic Name: (2-cyclopropylquinolin-4-yl)-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: (2-cyclopropyl-4-quinolyl)-[4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazin-4-ium-1-yl]methanone CAS Name: (2-cyclopropyl-4-quinolinyl)-[4-(2,3-dihydrobenzofuran-5-ylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: (2-cyclopropylquinolin-4-yl)-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-yl]methanone Traditional Name: [4-(coumaran-5-ylmethyl)piperazin-4-ium-1-yl]-(2-cyclopropyl-4-quinolyl)methanone Formula: C26H28N3O2+ MolecularWeight: 414.51942

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NC3=CC=CC=C3C(=C2)C(=O)N4CC[NH+](CC4)CC5=CC6=C(C=C5)OCC6

Isomeric SMILES

C1CC1C2=NC3=CC=CC=C3C(=C2)C(=O)N4CC[NH+](CC4)CC5=CC6=C(C=C5)OCC6

InChI

InChI=1S/C26H27N3O2/c30-26(22-16-24(19-6-7-19)27-23-4-2-1-3-21(22)23)29-12-10-28(11-13-29)17-18-5-8-25-20(15-18)9-14-31-25/h1-5,8,15-16,19H,6-7,9-14,17H2/p+1