(2S)-1-[(7-methoxy-2-oxidanylidene-chromen-4-yl)methyl]piperidin-1-ium-2-carboxamide

Systemtic Name: (2S)-1-[(7-methoxy-2-oxidanylidene-chromen-4-yl)methyl]piperidin-1-ium-2-carboxamide Openeye Name: (2S)-1-[(7-methoxy-2-oxo-chromen-4-yl)methyl]piperidin-1-ium-2-carboxamide CAS Name: (2S)-1-[(7-methoxy-2-oxo-1-benzopyran-4-yl)methyl]-2-piperidin-1-iumcarboxamide IUPAC Name: (2S)-1-[(7-methoxy-2-oxochromen-4-yl)methyl]piperidin-1-ium-2-carboxamide Traditional Name: (2S)-1-[(2-keto-7-methoxy-chromen-4-yl)methyl]piperidin-1-ium-2-carboxamide Formula: C17H21N2O4+ MolecularWeight: 317.35964

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=CC(=O)O2)C[NH+]3CCCCC3C(=O)N

Isomeric SMILES

COC1=CC2=C(C=C1)C(=CC(=O)O2)C[NH+]3CCCC[C@H]3C(=O)N

InChI

InChI=1S/C17H20N2O4/c1-22-12-5-6-13-11(8-16(20)23-15(13)9-12)10-19-7-3-2-4-14(19)17(18)21/h5-6,8-9,14H,2-4,7,10H2,1H3,(H2,18,21)/p+1/t14-/m0/s1