(2S)-1-[(6-chloranyl-7-ethyl-2-oxidanylidene-chromen-4-yl)methyl]piperidin-1-ium-2-carboxamide

Systemtic Name: (2S)-1-[(6-chloranyl-7-ethyl-2-oxidanylidene-chromen-4-yl)methyl]piperidin-1-ium-2-carboxamide Openeye Name: (2S)-1-[(6-chloro-7-ethyl-2-oxo-chromen-4-yl)methyl]piperidin-1-ium-2-carboxamide CAS Name: (2S)-1-[(6-chloro-7-ethyl-2-oxo-1-benzopyran-4-yl)methyl]-2-piperidin-1-iumcarboxamide IUPAC Name: (2S)-1-[(6-chloro-7-ethyl-2-oxochromen-4-yl)methyl]piperidin-1-ium-2-carboxamide Traditional Name: (2S)-1-[(6-chloro-7-ethyl-2-keto-chromen-4-yl)methyl]piperidin-1-ium-2-carboxamide Formula: C18H22ClN2O3+ MolecularWeight: 349.83188

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=CC(=O)OC2=C1)C[NH+]3CCCCC3C(=O)N)Cl

Isomeric SMILES

CCC1=C(C=C2C(=CC(=O)OC2=C1)C[NH+]3CCCC[C@H]3C(=O)N)Cl

InChI

InChI=1S/C18H21ClN2O3/c1-2-11-7-16-13(9-14(11)19)12(8-17(22)24-16)10-21-6-4-3-5-15(21)18(20)23/h7-9,15H,2-6,10H2,1H3,(H2,20,23)/p+1/t15-/m0/s1