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

Systemtic Name: 1,4-diazepan-4-ium-1-yl-[(2R)-2,3-dihydro-1-benzofuran-2-yl]methanone Openeye Name: 1,4-diazepan-4-ium-1-yl-[(2R)-2,3-dihydrobenzofuran-2-yl]methanone CAS Name: 1,4-diazepan-4-ium-1-yl-[(2R)-2,3-dihydrobenzofuran-2-yl]methanone IUPAC Name: 1,4-diazepan-4-ium-1-yl-[(2R)-2,3-dihydro-1-benzofuran-2-yl]methanone Traditional Name: [(2R)-coumaran-2-yl]-(1,4-diazepan-4-ium-1-yl)methanone Formula: C14H19N2O2+ MolecularWeight: 247.31286

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH2+]CCN(C1)C(=O)C2CC3=CC=CC=C3O2

Isomeric SMILES

C1C[NH2+]CCN(C1)C(=O)[C@H]2CC3=CC=CC=C3O2

InChI

InChI=1S/C14H18N2O2/c17-14(16-8-3-6-15-7-9-16)13-10-11-4-1-2-5-12(11)18-13/h1-2,4-5,13,15H,3,6-10H2/p+1/t13-/m1/s1