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

Systemtic Name: 5-[4-(phenylmethyl)piperazin-4-ium-1-yl]carbonyl-2-prop-2-enyl-isoindole-1,3-dione Openeye Name: 2-allyl-5-(4-benzylpiperazin-4-ium-1-carbonyl)isoindoline-1,3-dione CAS Name: 5-[oxo-[4-(phenylmethyl)-1-piperazin-4-iumyl]methyl]-2-prop-2-enylisoindole-1,3-dione IUPAC Name: 5-(4-benzylpiperazin-4-ium-1-carbonyl)-2-prop-2-enylisoindole-1,3-dione Traditional Name: 2-allyl-5-(4-benzylpiperazin-4-ium-1-carbonyl)isoindoline-1,3-quinone Formula: C23H24N3O3+ MolecularWeight: 390.45496

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)N3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

C=CCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)N3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C23H23N3O3/c1-2-10-26-22(28)19-9-8-18(15-20(19)23(26)29)21(27)25-13-11-24(12-14-25)16-17-6-4-3-5-7-17/h2-9,15H,1,10-14,16H2/p+1