2,3-dihydro-1-benzofuran-5-yl-[4-(phenylmethyl)-1,4-diazepan-4-ium-1-yl]methanone

Systemtic Name: 2,3-dihydro-1-benzofuran-5-yl-[4-(phenylmethyl)-1,4-diazepan-4-ium-1-yl]methanone Openeye Name: (4-benzyl-1,4-diazepan-4-ium-1-yl)-(2,3-dihydrobenzofuran-5-yl)methanone CAS Name: 2,3-dihydrobenzofuran-5-yl-[4-(phenylmethyl)-1,4-diazepan-4-ium-1-yl]methanone IUPAC Name: (4-benzyl-1,4-diazepan-4-ium-1-yl)-(2,3-dihydro-1-benzofuran-5-yl)methanone Traditional Name: (4-benzyl-1,4-diazepan-4-ium-1-yl)-coumaran-5-yl-methanone Formula: C21H25N2O2+ MolecularWeight: 337.4354

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCN(C1)C(=O)C2=CC3=C(C=C2)OCC3)CC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](CCN(C1)C(=O)C2=CC3=C(C=C2)OCC3)CC4=CC=CC=C4

InChI

InChI=1S/C21H24N2O2/c24-21(19-7-8-20-18(15-19)9-14-25-20)23-11-4-10-22(12-13-23)16-17-5-2-1-3-6-17/h1-3,5-8,15H,4,9-14,16H2/p+1