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

Systemtic Name: 4-[4-[(4-methoxy-2,3-dimethyl-phenyl)methyl]piperazin-4-ium-1-yl]-2-(3-methoxypropyl)isoindole-1,3-dione Openeye Name: 4-[4-[(4-methoxy-2,3-dimethyl-phenyl)methyl]piperazin-4-ium-1-yl]-2-(3-methoxypropyl)isoindoline-1,3-dione CAS Name: 4-[4-[(4-methoxy-2,3-dimethylphenyl)methyl]-1-piperazin-4-iumyl]-2-(3-methoxypropyl)isoindole-1,3-dione IUPAC Name: 4-[4-[(4-methoxy-2,3-dimethylphenyl)methyl]piperazin-4-ium-1-yl]-2-(3-methoxypropyl)isoindole-1,3-dione Traditional Name: 4-[4-(4-methoxy-2,3-dimethyl-benzyl)piperazin-4-ium-1-yl]-2-(3-methoxypropyl)isoindoline-1,3-quinone Formula: C26H34N3O4+ MolecularWeight: 452.56586

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1C)OC)C[NH+]2CCN(CC2)C3=CC=CC4=C3C(=O)N(C4=O)CCCOC

Isomeric SMILES

CC1=C(C=CC(=C1C)OC)C[NH+]2CCN(CC2)C3=CC=CC4=C3C(=O)N(C4=O)CCCOC

InChI

InChI=1S/C26H33N3O4/c1-18-19(2)23(33-4)10-9-20(18)17-27-12-14-28(15-13-27)22-8-5-7-21-24(22)26(31)29(25(21)30)11-6-16-32-3/h5,7-10H,6,11-17H2,1-4H3/p+1