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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=CC=CC=C2C1=O)C3=CC(=C(C=C3)OC)C[NH+]4CCCCC4.[Cl-]

Isomeric SMILES

CC1=C(OC2=CC=CC=C2C1=O)C3=CC(=C(C=C3)OC)C[NH+]4CCCCC4.[Cl-]

InChI

InChI=1S/C23H25NO3.ClH/c1-16-22(25)19-8-4-5-9-21(19)27-23(16)17-10-11-20(26-2)18(14-17)15-24-12-6-3-7-13-24;/h4-5,8-11,14H,3,6-7,12-13,15H2,1-2H3;1H