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

Systemtic Name: 7-methoxy-3-methyl-2-phenyl-8-(piperidin-1-ium-1-ylmethyl)chromen-4-one chloride Openeye Name: 7-methoxy-3-methyl-2-phenyl-8-(piperidin-1-ium-1-ylmethyl)chromen-4-one chloride CAS Name: 7-methoxy-3-methyl-2-phenyl-8-(1-piperidin-1-iumylmethyl)-1-benzopyran-4-one chloride IUPAC Name: 7-methoxy-3-methyl-2-phenyl-8-(piperidin-1-ium-1-ylmethyl)chromen-4-one chloride Traditional Name: 7-methoxy-3-methyl-2-phenyl-8-(piperidin-1-ium-1-ylmethyl)chromone chloride Formula: C23H26ClNO3 MolecularWeight: 399.91044

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C(C1=O)C=CC(=C2C[NH+]3CCCCC3)OC)C4=CC=CC=C4.[Cl-]

Isomeric SMILES

CC1=C(OC2=C(C1=O)C=CC(=C2C[NH+]3CCCCC3)OC)C4=CC=CC=C4.[Cl-]

InChI

InChI=1S/C23H25NO3.ClH/c1-16-21(25)18-11-12-20(26-2)19(15-24-13-7-4-8-14-24)23(18)27-22(16)17-9-5-3-6-10-17;/h3,5-6,9-12H,4,7-8,13-15H2,1-2H3;1H