4-[4-[(2-methoxynaphthalen-1-yl)methyl]piperazin-4-ium-1-yl]-2-[(4-methoxyphenyl)methyl]isoindole-1,3-dione

Systemtic Name: 4-[4-[(2-methoxynaphthalen-1-yl)methyl]piperazin-4-ium-1-yl]-2-[(4-methoxyphenyl)methyl]isoindole-1,3-dione Openeye Name: 4-[4-[(2-methoxy-1-naphthyl)methyl]piperazin-4-ium-1-yl]-2-[(4-methoxyphenyl)methyl]isoindoline-1,3-dione CAS Name: 4-[4-[(2-methoxy-1-naphthalenyl)methyl]-1-piperazin-4-iumyl]-2-[(4-methoxyphenyl)methyl]isoindole-1,3-dione IUPAC Name: 4-[4-[(2-methoxynaphthalen-1-yl)methyl]piperazin-4-ium-1-yl]-2-[(4-methoxyphenyl)methyl]isoindole-1,3-dione Traditional Name: 4-[4-[(2-methoxy-1-naphthyl)methyl]piperazin-4-ium-1-yl]-2-p-anisyl-isoindoline-1,3-quinone Formula: C32H32N3O4+ MolecularWeight: 522.61418

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN2C(=O)C3=C(C2=O)C(=CC=C3)N4CC[NH+](CC4)CC5=C(C=CC6=CC=CC=C65)OC

Isomeric SMILES

COC1=CC=C(C=C1)CN2C(=O)C3=C(C2=O)C(=CC=C3)N4CC[NH+](CC4)CC5=C(C=CC6=CC=CC=C65)OC

InChI

InChI=1S/C32H31N3O4/c1-38-24-13-10-22(11-14-24)20-35-31(36)26-8-5-9-28(30(26)32(35)37)34-18-16-33(17-19-34)21-27-25-7-4-3-6-23(25)12-15-29(27)39-2/h3-15H,16-21H2,1-2H3/p+1