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

Systemtic Name: 6-methoxy-4-[[4-(phenylmethyl)piperazine-1,4-diium-1-yl]methyl]chromen-2-one Openeye Name: 4-[(4-benzylpiperazine-1,4-diium-1-yl)methyl]-6-methoxy-chromen-2-one CAS Name: 6-methoxy-4-[[4-(phenylmethyl)-1-piperazine-1,4-diiumyl]methyl]-1-benzopyran-2-one IUPAC Name: 4-[(4-benzylpiperazine-1,4-diium-1-yl)methyl]-6-methoxychromen-2-one Traditional Name: 4-[(4-benzylpiperazine-1,4-diium-1-yl)methyl]-6-methoxy-coumarin Formula: C22H26N2O3+2 MolecularWeight: 366.45344

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)OC(=O)C=C2C[NH+]3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

COC1=CC2=C(C=C1)OC(=O)C=C2C[NH+]3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C22H24N2O3/c1-26-19-7-8-21-20(14-19)18(13-22(25)27-21)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/p+2