7-ethyl-4-[[4-[(2-methoxy-5-methyl-phenyl)methyl]piperazine-1,4-diium-1-yl]methyl]chromen-2-one

Systemtic Name: 7-ethyl-4-[[4-[(2-methoxy-5-methyl-phenyl)methyl]piperazine-1,4-diium-1-yl]methyl]chromen-2-one Openeye Name: 7-ethyl-4-[[4-[(2-methoxy-5-methyl-phenyl)methyl]piperazine-1,4-diium-1-yl]methyl]chromen-2-one CAS Name: 7-ethyl-4-[[4-[(2-methoxy-5-methylphenyl)methyl]-1-piperazine-1,4-diiumyl]methyl]-1-benzopyran-2-one IUPAC Name: 7-ethyl-4-[[4-[(2-methoxy-5-methylphenyl)methyl]piperazine-1,4-diium-1-yl]methyl]chromen-2-one Traditional Name: 7-ethyl-4-[[4-(2-methoxy-5-methyl-benzyl)piperazine-1,4-diium-1-yl]methyl]coumarin Formula: C25H32N2O3+2 MolecularWeight: 408.53318

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)C(=CC(=O)O2)C[NH+]3CC[NH+](CC3)CC4=C(C=CC(=C4)C)OC

Isomeric SMILES

CCC1=CC2=C(C=C1)C(=CC(=O)O2)C[NH+]3CC[NH+](CC3)CC4=C(C=CC(=C4)C)OC

InChI

InChI=1S/C25H30N2O3/c1-4-19-6-7-22-20(15-25(28)30-24(22)14-19)16-26-9-11-27(12-10-26)17-21-13-18(2)5-8-23(21)29-3/h5-8,13-15H,4,9-12,16-17H2,1-3H3/p+2