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

Systemtic Name: (3R)-1-[(7-ethyl-2-oxidanylidene-chromen-4-yl)methyl]piperidin-1-ium-3-carboxamide Openeye Name: (3R)-1-[(7-ethyl-2-oxo-chromen-4-yl)methyl]piperidin-1-ium-3-carboxamide CAS Name: (3R)-1-[(7-ethyl-2-oxo-1-benzopyran-4-yl)methyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3R)-1-[(7-ethyl-2-oxochromen-4-yl)methyl]piperidin-1-ium-3-carboxamide Traditional Name: (3R)-1-[(7-ethyl-2-keto-chromen-4-yl)methyl]piperidin-1-ium-3-carboxamide Formula: C18H23N2O3+ MolecularWeight: 315.38682

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)C(=CC(=O)O2)C[NH+]3CCCC(C3)C(=O)N

Isomeric SMILES

CCC1=CC2=C(C=C1)C(=CC(=O)O2)C[NH+]3CCC[C@H](C3)C(=O)N

InChI

InChI=1S/C18H22N2O3/c1-2-12-5-6-15-14(9-17(21)23-16(15)8-12)11-20-7-3-4-13(10-20)18(19)22/h5-6,8-9,13H,2-4,7,10-11H2,1H3,(H2,19,22)/p+1/t13-/m1/s1