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

Systemtic Name: 4-[[4-[(4-chlorophenyl)methyl]piperazine-1,4-diium-1-yl]methyl]-7-methoxy-chromen-2-one Openeye Name: 4-[[4-[(4-chlorophenyl)methyl]piperazine-1,4-diium-1-yl]methyl]-7-methoxy-chromen-2-one CAS Name: 4-[[4-[(4-chlorophenyl)methyl]-1-piperazine-1,4-diiumyl]methyl]-7-methoxy-1-benzopyran-2-one IUPAC Name: 4-[[4-[(4-chlorophenyl)methyl]piperazine-1,4-diium-1-yl]methyl]-7-methoxychromen-2-one Traditional Name: 4-[[4-(4-chlorobenzyl)piperazine-1,4-diium-1-yl]methyl]-7-methoxy-coumarin Formula: C22H25ClN2O3+2 MolecularWeight: 400.8985

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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=C(C=C4)Cl

Isomeric SMILES

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

InChI

InChI=1S/C22H23ClN2O3/c1-27-19-6-7-20-17(12-22(26)28-21(20)13-19)15-25-10-8-24(9-11-25)14-16-2-4-18(23)5-3-16/h2-7,12-13H,8-11,14-15H2,1H3/p+2