2-[(4-methoxyphenyl)methyl]-4-[4-(quinolin-5-ylmethyl)piperazin-4-ium-1-yl]isoindole-1,3-dione

Systemtic Name: 2-[(4-methoxyphenyl)methyl]-4-[4-(quinolin-5-ylmethyl)piperazin-4-ium-1-yl]isoindole-1,3-dione Openeye Name: 2-[(4-methoxyphenyl)methyl]-4-[4-(5-quinolylmethyl)piperazin-4-ium-1-yl]isoindoline-1,3-dione CAS Name: 2-[(4-methoxyphenyl)methyl]-4-[4-(5-quinolinylmethyl)-1-piperazin-4-iumyl]isoindole-1,3-dione IUPAC Name: 2-[(4-methoxyphenyl)methyl]-4-[4-(quinolin-5-ylmethyl)piperazin-4-ium-1-yl]isoindole-1,3-dione Traditional Name: 2-p-anisyl-4-[4-(5-quinolylmethyl)piperazin-4-ium-1-yl]isoindoline-1,3-quinone Formula: C30H29N4O3+ MolecularWeight: 493.57626

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=C6C=CC=NC6=CC=C5

Isomeric SMILES

COC1=CC=C(C=C1)CN2C(=O)C3=C(C2=O)C(=CC=C3)N4CC[NH+](CC4)CC5=C6C=CC=NC6=CC=C5

InChI

InChI=1S/C30H28N4O3/c1-37-23-12-10-21(11-13-23)19-34-29(35)25-6-3-9-27(28(25)30(34)36)33-17-15-32(16-18-33)20-22-5-2-8-26-24(22)7-4-14-31-26/h2-14H,15-20H2,1H3/p+1