methyl-[(2S)-3-(4-methyl-2-oxidanylidene-chromen-7-yl)oxy-2-oxidanyl-propyl]-(1-methylpiperidin-1-ium-4-yl)azanium

Systemtic Name: methyl-[(2S)-3-(4-methyl-2-oxidanylidene-chromen-7-yl)oxy-2-oxidanyl-propyl]-(1-methylpiperidin-1-ium-4-yl)azanium Openeye Name: [(2S)-2-hydroxy-3-(4-methyl-2-oxo-chromen-7-yl)oxy-propyl]-methyl-(1-methylpiperidin-1-ium-4-yl)ammonium CAS Name: [(2S)-2-hydroxy-3-[(4-methyl-2-oxo-1-benzopyran-7-yl)oxy]propyl]-methyl-(1-methyl-4-piperidin-1-iumyl)ammonium IUPAC Name: [(2S)-2-hydroxy-3-(4-methyl-2-oxochromen-7-yl)oxypropyl]-methyl-(1-methylpiperidin-1-ium-4-yl)azanium Traditional Name: [(2S)-2-hydroxy-3-(2-keto-4-methyl-chromen-7-yl)oxy-propyl]-methyl-(1-methylpiperidin-1-ium-4-yl)ammonium Formula: C20H30N2O4+2 MolecularWeight: 362.4632

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)OC2=C1C=CC(=C2)OCC(C[NH+](C)C3CC[NH+](CC3)C)O

Isomeric SMILES

CC1=CC(=O)OC2=C1C=CC(=C2)OC[C@H](C[NH+](C)C3CC[NH+](CC3)C)O

InChI

InChI=1S/C20H28N2O4/c1-14-10-20(24)26-19-11-17(4-5-18(14)19)25-13-16(23)12-22(3)15-6-8-21(2)9-7-15/h4-5,10-11,15-16,23H,6-9,12-13H2,1-3H3/p+2/t16-/m0/s1