7-methoxy-4-[[4-(phenylmethyl)piperidin-1-ium-1-yl]methyl]chromen-2-one chloride

Systemtic Name: 7-methoxy-4-[[4-(phenylmethyl)piperidin-1-ium-1-yl]methyl]chromen-2-one chloride Openeye Name: 4-[(4-benzylpiperidin-1-ium-1-yl)methyl]-7-methoxy-chromen-2-one chloride CAS Name: 7-methoxy-4-[[4-(phenylmethyl)-1-piperidin-1-iumyl]methyl]-1-benzopyran-2-one chloride IUPAC Name: 4-[(4-benzylpiperidin-1-ium-1-yl)methyl]-7-methoxychromen-2-one chloride Traditional Name: 4-[(4-benzylpiperidin-1-ium-1-yl)methyl]-7-methoxy-coumarin chloride Formula: C23H26ClNO3 MolecularWeight: 399.91044

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=CC(=O)O2)C[NH+]3CCC(CC3)CC4=CC=CC=C4.[Cl-]

Isomeric SMILES

COC1=CC2=C(C=C1)C(=CC(=O)O2)C[NH+]3CCC(CC3)CC4=CC=CC=C4.[Cl-]

InChI

InChI=1S/C23H25NO3.ClH/c1-26-20-7-8-21-19(14-23(25)27-22(21)15-20)16-24-11-9-18(10-12-24)13-17-5-3-2-4-6-17;/h2-8,14-15,18H,9-13,16H2,1H3;1H