7-methoxy-4-[[4-(phenylmethyl)piperazine-1,4-diium-1-yl]methyl]chromen-2-one dichloride

Systemtic Name: 7-methoxy-4-[[4-(phenylmethyl)piperazine-1,4-diium-1-yl]methyl]chromen-2-one dichloride Openeye Name: 4-[(4-benzylpiperazine-1,4-diium-1-yl)methyl]-7-methoxy-chromen-2-one dichloride CAS Name: 7-methoxy-4-[[4-(phenylmethyl)-1-piperazine-1,4-diiumyl]methyl]-1-benzopyran-2-one dichloride IUPAC Name: 4-[(4-benzylpiperazine-1,4-diium-1-yl)methyl]-7-methoxychromen-2-one dichloride Traditional Name: 4-[(4-benzylpiperazine-1,4-diium-1-yl)methyl]-7-methoxy-coumarin dichloride Formula: C22H26Cl2N2O3 MolecularWeight: 437.35944

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24N2O3.2ClH/c1-26-19-7-8-20-18(13-22(25)27-21(20)14-19)16-24-11-9-23(10-12-24)15-17-5-3-2-4-6-17;;/h2-8,13-14H,9-12,15-16H2,1H3;2*1H