5-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]carbonyl-2-prop-2-enyl-isoindole-1,3-dione

Systemtic Name: 5-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]carbonyl-2-prop-2-enyl-isoindole-1,3-dione Openeye Name: 2-allyl-5-[4-(o-tolylmethyl)piperazin-4-ium-1-carbonyl]isoindoline-1,3-dione CAS Name: 5-[[4-[(2-methylphenyl)methyl]-1-piperazin-4-iumyl]-oxomethyl]-2-prop-2-enylisoindole-1,3-dione IUPAC Name: 5-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-carbonyl]-2-prop-2-enylisoindole-1,3-dione Traditional Name: 2-allyl-5-[4-(2-methylbenzyl)piperazin-4-ium-1-carbonyl]isoindoline-1,3-quinone Formula: C24H26N3O3+ MolecularWeight: 404.48154

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H25N3O3/c1-3-10-27-23(29)20-9-8-18(15-21(20)24(27)30)22(28)26-13-11-25(12-14-26)16-19-7-5-4-6-17(19)2/h3-9,15H,1,10-14,16H2,2H3/p+1