2-(1,3-benzodioxol-5-ylmethyl)-4-[4-[(E)-2-methyl-3-phenyl-prop-2-enyl]piperazin-4-ium-1-yl]isoindole-1,3-dione

Systemtic Name: 2-(1,3-benzodioxol-5-ylmethyl)-4-[4-[(E)-2-methyl-3-phenyl-prop-2-enyl]piperazin-4-ium-1-yl]isoindole-1,3-dione Openeye Name: 2-(1,3-benzodioxol-5-ylmethyl)-4-[4-[(E)-2-methyl-3-phenyl-allyl]piperazin-4-ium-1-yl]isoindoline-1,3-dione CAS Name: 2-(1,3-benzodioxol-5-ylmethyl)-4-[4-[(E)-2-methyl-3-phenylprop-2-enyl]-1-piperazin-4-iumyl]isoindole-1,3-dione IUPAC Name: 2-(1,3-benzodioxol-5-ylmethyl)-4-[4-[(E)-2-methyl-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]isoindole-1,3-dione Traditional Name: 4-[4-[(E)-2-methyl-3-phenyl-allyl]piperazin-4-ium-1-yl]-2-piperonyl-isoindoline-1,3-quinone Formula: C30H30N3O4+ MolecularWeight: 496.5769

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC1=CC=CC=C1)C[NH+]2CCN(CC2)C3=CC=CC4=C3C(=O)N(C4=O)CC5=CC6=C(C=C5)OCO6

Isomeric SMILES

C/C(=C\C1=CC=CC=C1)/C[NH+]2CCN(CC2)C3=CC=CC4=C3C(=O)N(C4=O)CC5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C30H29N3O4/c1-21(16-22-6-3-2-4-7-22)18-31-12-14-32(15-13-31)25-9-5-8-24-28(25)30(35)33(29(24)34)19-23-10-11-26-27(17-23)37-20-36-26/h2-11,16-17H,12-15,18-20H2,1H3/p+1/b21-16+