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

Systemtic Name: 2-[(4-methoxyphenyl)methyl]-4-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]isoindole-1,3-dione Openeye Name: 2-[(4-methoxyphenyl)methyl]-4-[4-(1-naphthylmethyl)piperazin-4-ium-1-yl]isoindoline-1,3-dione CAS Name: 2-[(4-methoxyphenyl)methyl]-4-[4-(1-naphthalenylmethyl)-1-piperazin-4-iumyl]isoindole-1,3-dione IUPAC Name: 2-[(4-methoxyphenyl)methyl]-4-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]isoindole-1,3-dione Traditional Name: 4-[4-(1-naphthylmethyl)piperazin-4-ium-1-yl]-2-p-anisyl-isoindoline-1,3-quinone Formula: C31H30N3O3+ MolecularWeight: 492.5882

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H29N3O3/c1-37-25-14-12-22(13-15-25)20-34-30(35)27-10-5-11-28(29(27)31(34)36)33-18-16-32(17-19-33)21-24-8-4-7-23-6-2-3-9-26(23)24/h2-15H,16-21H2,1H3/p+1