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

Systemtic Name: 2-[(4-methoxyphenyl)methyl]-4-[4-[(E)-2-methyl-3-phenyl-prop-2-enyl]piperazin-4-ium-1-yl]isoindole-1,3-dione Openeye Name: 2-[(4-methoxyphenyl)methyl]-4-[4-[(E)-2-methyl-3-phenyl-allyl]piperazin-4-ium-1-yl]isoindoline-1,3-dione CAS Name: 2-[(4-methoxyphenyl)methyl]-4-[4-[(E)-2-methyl-3-phenylprop-2-enyl]-1-piperazin-4-iumyl]isoindole-1,3-dione IUPAC Name: 2-[(4-methoxyphenyl)methyl]-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-p-anisyl-isoindoline-1,3-quinone Formula: C30H32N3O3+ MolecularWeight: 482.59338

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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=CC=C(C=C5)OC

Isomeric SMILES

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

InChI

InChI=1S/C30H31N3O3/c1-22(19-23-7-4-3-5-8-23)20-31-15-17-32(18-16-31)27-10-6-9-26-28(27)30(35)33(29(26)34)21-24-11-13-25(36-2)14-12-24/h3-14,19H,15-18,20-21H2,1-2H3/p+1/b22-19+