(3R)-1-[(7-methoxy-2-oxidanylidene-chromen-4-yl)methyl]piperidin-1-ium-3-carboxamide

Systemtic Name: (3R)-1-[(7-methoxy-2-oxidanylidene-chromen-4-yl)methyl]piperidin-1-ium-3-carboxamide Openeye Name: (3R)-1-[(7-methoxy-2-oxo-chromen-4-yl)methyl]piperidin-1-ium-3-carboxamide CAS Name: (3R)-1-[(7-methoxy-2-oxo-1-benzopyran-4-yl)methyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3R)-1-[(7-methoxy-2-oxochromen-4-yl)methyl]piperidin-1-ium-3-carboxamide Traditional Name: (3R)-1-[(2-keto-7-methoxy-chromen-4-yl)methyl]piperidin-1-ium-3-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+]3CCCC(C3)C(=O)N

Isomeric SMILES

COC1=CC2=C(C=C1)C(=CC(=O)O2)C[NH+]3CCC[C@H](C3)C(=O)N

InChI

InChI=1S/C17H20N2O4/c1-22-13-4-5-14-12(7-16(20)23-15(14)8-13)10-19-6-2-3-11(9-19)17(18)21/h4-5,7-8,11H,2-3,6,9-10H2,1H3,(H2,18,21)/p+1/t11-/m1/s1