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

Systemtic Name: 7-methoxy-4-[[4-[(4-methoxyphenyl)methyl]piperazine-1,4-diium-1-yl]methyl]chromen-2-one Openeye Name: 7-methoxy-4-[[4-[(4-methoxyphenyl)methyl]piperazine-1,4-diium-1-yl]methyl]chromen-2-one CAS Name: 7-methoxy-4-[[4-[(4-methoxyphenyl)methyl]-1-piperazine-1,4-diiumyl]methyl]-1-benzopyran-2-one IUPAC Name: 7-methoxy-4-[[4-[(4-methoxyphenyl)methyl]piperazine-1,4-diium-1-yl]methyl]chromen-2-one Traditional Name: 7-methoxy-4-[(4-p-anisylpiperazine-1,4-diium-1-yl)methyl]coumarin Formula: C23H28N2O4+2 MolecularWeight: 396.47942

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C[NH+]2CC[NH+](CC2)CC3=CC(=O)OC4=C3C=CC(=C4)OC

Isomeric SMILES

COC1=CC=C(C=C1)C[NH+]2CC[NH+](CC2)CC3=CC(=O)OC4=C3C=CC(=C4)OC

InChI

InChI=1S/C23H26N2O4/c1-27-19-5-3-17(4-6-19)15-24-9-11-25(12-10-24)16-18-13-23(26)29-22-14-20(28-2)7-8-21(18)22/h3-8,13-14H,9-12,15-16H2,1-2H3/p+2