1-[(2S)-3-(4,8-dimethyl-2-oxidanylidene-chromen-7-yl)oxy-2-oxidanyl-propyl]piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[(2S)-3-(4,8-dimethyl-2-oxidanylidene-chromen-7-yl)oxy-2-oxidanyl-propyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[(2S)-3-(4,8-dimethyl-2-oxo-chromen-7-yl)oxy-2-hydroxy-propyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[(2S)-3-[(4,8-dimethyl-2-oxo-1-benzopyran-7-yl)oxy]-2-hydroxypropyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[(2S)-3-(4,8-dimethyl-2-oxochromen-7-yl)oxy-2-hydroxypropyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-[(2S)-2-hydroxy-3-(2-keto-4,8-dimethyl-chromen-7-yl)oxy-propyl]piperidin-1-ium-4-carboxamide Formula: C20H27N2O5+ MolecularWeight: 375.43878

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)OC2=C1C=CC(=C2C)OCC(C[NH+]3CCC(CC3)C(=O)N)O

Isomeric SMILES

CC1=CC(=O)OC2=C1C=CC(=C2C)OC[C@H](C[NH+]3CCC(CC3)C(=O)N)O

InChI

InChI=1S/C20H26N2O5/c1-12-9-18(24)27-19-13(2)17(4-3-16(12)19)26-11-15(23)10-22-7-5-14(6-8-22)20(21)25/h3-4,9,14-15,23H,5-8,10-11H2,1-2H3,(H2,21,25)/p+1/t15-/m0/s1