2-(4-methoxyphenyl)-4-[4-(phenylmethyl)piperazine-1,4-diium-1-ylidene]chromen-6-ol

Systemtic Name: 2-(4-methoxyphenyl)-4-[4-(phenylmethyl)piperazine-1,4-diium-1-ylidene]chromen-6-ol Openeye Name: 4-(4-benzylpiperazine-1,4-diium-1-ylidene)-2-(4-methoxyphenyl)chromen-6-ol CAS Name: 2-(4-methoxyphenyl)-4-[4-(phenylmethyl)-1-piperazine-1,4-diiumylidene]-1-benzopyran-6-ol IUPAC Name: 4-(4-benzylpiperazine-1,4-diium-1-ylidene)-2-(4-methoxyphenyl)chromen-6-ol Traditional Name: 4-(4-benzylpiperazine-1,4-diium-1-ylidene)-2-(4-methoxyphenyl)chromen-6-ol Formula: C27H28N2O3+2 MolecularWeight: 428.52282

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CC(=[N+]3CC[NH+](CC3)CC4=CC=CC=C4)C5=C(O2)C=CC(=C5)O

Isomeric SMILES

COC1=CC=C(C=C1)C2=CC(=[N+]3CC[NH+](CC3)CC4=CC=CC=C4)C5=C(O2)C=CC(=C5)O

InChI

InChI=1S/C27H26N2O3/c1-31-23-10-7-21(8-11-23)27-18-25(24-17-22(30)9-12-26(24)32-27)29-15-13-28(14-16-29)19-20-5-3-2-4-6-20/h2-12,17-18H,13-16,19H2,1H3/p+2