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

Systemtic Name: 4-[4-[(2-methoxynaphthalen-1-yl)methyl]piperazin-4-ium-1-yl]-2-(3-methoxypropyl)isoindole-1,3-dione Openeye Name: 4-[4-[(2-methoxy-1-naphthyl)methyl]piperazin-4-ium-1-yl]-2-(3-methoxypropyl)isoindoline-1,3-dione CAS Name: 4-[4-[(2-methoxy-1-naphthalenyl)methyl]-1-piperazin-4-iumyl]-2-(3-methoxypropyl)isoindole-1,3-dione IUPAC Name: 4-[4-[(2-methoxynaphthalen-1-yl)methyl]piperazin-4-ium-1-yl]-2-(3-methoxypropyl)isoindole-1,3-dione Traditional Name: 4-[4-[(2-methoxy-1-naphthyl)methyl]piperazin-4-ium-1-yl]-2-(3-methoxypropyl)isoindoline-1,3-quinone Formula: C28H32N3O4+ MolecularWeight: 474.57138

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Descriptors Computed from Structure

Canonical SMILES:

COCCCN1C(=O)C2=C(C1=O)C(=CC=C2)N3CC[NH+](CC3)CC4=C(C=CC5=CC=CC=C54)OC

Isomeric SMILES

COCCCN1C(=O)C2=C(C1=O)C(=CC=C2)N3CC[NH+](CC3)CC4=C(C=CC5=CC=CC=C54)OC

InChI

InChI=1S/C28H31N3O4/c1-34-18-6-13-31-27(32)22-9-5-10-24(26(22)28(31)33)30-16-14-29(15-17-30)19-23-21-8-4-3-7-20(21)11-12-25(23)35-2/h3-5,7-12H,6,13-19H2,1-2H3/p+1