7-methoxy-2,3-dimethyl-8-[(4-methylpiperazin-4-ium-1-yl)methyl]chromen-4-one chloride

Systemtic Name: 7-methoxy-2,3-dimethyl-8-[(4-methylpiperazin-4-ium-1-yl)methyl]chromen-4-one chloride Openeye Name: 7-methoxy-2,3-dimethyl-8-[(4-methylpiperazin-4-ium-1-yl)methyl]chromen-4-one chloride CAS Name: 7-methoxy-2,3-dimethyl-8-[(4-methyl-1-piperazin-4-iumyl)methyl]-1-benzopyran-4-one chloride IUPAC Name: 7-methoxy-2,3-dimethyl-8-[(4-methylpiperazin-4-ium-1-yl)methyl]chromen-4-one chloride Traditional Name: 7-methoxy-2,3-dimethyl-8-[(4-methylpiperazin-4-ium-1-yl)methyl]chromone chloride Formula: C18H25ClN2O3 MolecularWeight: 352.8557

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C(C1=O)C=CC(=C2CN3CC[NH+](CC3)C)OC)C.[Cl-]

Isomeric SMILES

CC1=C(OC2=C(C1=O)C=CC(=C2CN3CC[NH+](CC3)C)OC)C.[Cl-]

InChI

InChI=1S/C18H24N2O3.ClH/c1-12-13(2)23-18-14(17(12)21)5-6-16(22-4)15(18)11-20-9-7-19(3)8-10-20;/h5-6H,7-11H2,1-4H3;1H