(2S)-1-[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-2-carboxamide

Systemtic Name: (2S)-1-[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-2-carboxamide Openeye Name: (2S)-1-[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxo-ethyl]piperidin-1-ium-2-carboxamide CAS Name: (2S)-1-[2-[(2-methoxy-3-dibenzofuranyl)amino]-2-oxoethyl]-2-piperidin-1-iumcarboxamide IUPAC Name: (2S)-1-[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl]piperidin-1-ium-2-carboxamide Traditional Name: (2S)-1-[2-keto-2-[(2-methoxydibenzofuran-3-yl)amino]ethyl]piperidin-1-ium-2-carboxamide Formula: C21H24N3O4+ MolecularWeight: 382.43296

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C3=CC=CC=C3O2)NC(=O)C[NH+]4CCCCC4C(=O)N

Isomeric SMILES

COC1=C(C=C2C(=C1)C3=CC=CC=C3O2)NC(=O)C[NH+]4CCCC[C@H]4C(=O)N

InChI

InChI=1S/C21H23N3O4/c1-27-19-10-14-13-6-2-3-8-17(13)28-18(14)11-15(19)23-20(25)12-24-9-5-4-7-16(24)21(22)26/h2-3,6,8,10-11,16H,4-5,7,9,12H2,1H3,(H2,22,26)(H,23,25)/p+1/t16-/m0/s1