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

Systemtic Name: 2-prop-2-enyl-5-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]carbonyl-isoindole-1,3-dione Openeye Name: 2-allyl-5-[4-(3-thienylmethyl)piperazin-4-ium-1-carbonyl]isoindoline-1,3-dione CAS Name: 5-[oxo-[4-(3-thiophenylmethyl)-1-piperazin-4-iumyl]methyl]-2-prop-2-enylisoindole-1,3-dione IUPAC Name: 2-prop-2-enyl-5-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-carbonyl]isoindole-1,3-dione Traditional Name: 2-allyl-5-[4-(3-thenyl)piperazin-4-ium-1-carbonyl]isoindoline-1,3-quinone Formula: C21H22N3O3S+ MolecularWeight: 396.48268

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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=CSC=C4

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O3S/c1-2-6-24-20(26)17-4-3-16(12-18(17)21(24)27)19(25)23-9-7-22(8-10-23)13-15-5-11-28-14-15/h2-5,11-12,14H,1,6-10,13H2/p+1