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

Systemtic Name: 3-ethyl-7-methoxy-2-phenyl-8-(piperidin-1-ium-1-ylmethyl)chromen-4-one chloride Openeye Name: 3-ethyl-7-methoxy-2-phenyl-8-(piperidin-1-ium-1-ylmethyl)chromen-4-one chloride CAS Name: 3-ethyl-7-methoxy-2-phenyl-8-(1-piperidin-1-iumylmethyl)-1-benzopyran-4-one chloride IUPAC Name: 3-ethyl-7-methoxy-2-phenyl-8-(piperidin-1-ium-1-ylmethyl)chromen-4-one chloride Traditional Name: 3-ethyl-7-methoxy-2-phenyl-8-(piperidin-1-ium-1-ylmethyl)chromone chloride Formula: C24H28ClNO3 MolecularWeight: 413.93702

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(OC2=C(C1=O)C=CC(=C2C[NH+]3CCCCC3)OC)C4=CC=CC=C4.[Cl-]

Isomeric SMILES

CCC1=C(OC2=C(C1=O)C=CC(=C2C[NH+]3CCCCC3)OC)C4=CC=CC=C4.[Cl-]

InChI

InChI=1S/C24H27NO3.ClH/c1-3-18-22(26)19-12-13-21(27-2)20(16-25-14-8-5-9-15-25)24(19)28-23(18)17-10-6-4-7-11-17;/h4,6-7,10-13H,3,5,8-9,14-16H2,1-2H3;1H