1-benzofuran-2-yl(1,4-diazepan-4-ium-1-yl)methanone

Systemtic Name: 1-benzofuran-2-yl(1,4-diazepan-4-ium-1-yl)methanone Openeye Name: benzofuran-2-yl(1,4-diazepan-4-ium-1-yl)methanone CAS Name: 2-benzofuranyl(1,4-diazepan-4-ium-1-yl)methanone IUPAC Name: 1-benzofuran-2-yl(1,4-diazepan-4-ium-1-yl)methanone Traditional Name: benzofuran-2-yl(1,4-diazepan-4-ium-1-yl)methanone Formula: C14H17N2O2+ MolecularWeight: 245.29698

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH2+]CCN(C1)C(=O)C2=CC3=CC=CC=C3O2

Isomeric SMILES

C1C[NH2+]CCN(C1)C(=O)C2=CC3=CC=CC=C3O2

InChI

InChI=1S/C14H16N2O2/c17-14(16-8-3-6-15-7-9-16)13-10-11-4-1-2-5-12(11)18-13/h1-2,4-5,10,15H,3,6-9H2/p+1