3-ethyl-7-methoxy-2-methyl-8-(piperidin-1-ium-1-ylmethyl)chromen-4-one chloride

Systemtic Name: 3-ethyl-7-methoxy-2-methyl-8-(piperidin-1-ium-1-ylmethyl)chromen-4-one chloride Openeye Name: 3-ethyl-7-methoxy-2-methyl-8-(piperidin-1-ium-1-ylmethyl)chromen-4-one chloride CAS Name: 3-ethyl-7-methoxy-2-methyl-8-(1-piperidin-1-iumylmethyl)-1-benzopyran-4-one chloride IUPAC Name: 3-ethyl-7-methoxy-2-methyl-8-(piperidin-1-ium-1-ylmethyl)chromen-4-one chloride Traditional Name: 3-ethyl-7-methoxy-2-methyl-8-(piperidin-1-ium-1-ylmethyl)chromone chloride Formula: C19H26ClNO3 MolecularWeight: 351.86764

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(OC2=C(C1=O)C=CC(=C2C[NH+]3CCCCC3)OC)C.[Cl-]

Isomeric SMILES

CCC1=C(OC2=C(C1=O)C=CC(=C2C[NH+]3CCCCC3)OC)C.[Cl-]

InChI

InChI=1S/C19H25NO3.ClH/c1-4-14-13(2)23-19-15(18(14)21)8-9-17(22-3)16(19)12-20-10-6-5-7-11-20;/h8-9H,4-7,10-12H2,1-3H3;1H