N-[3-(2-methylphenyl)carbonyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]-2-(4-prop-2-enylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-[3-(2-methylphenyl)carbonyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]-2-(4-prop-2-enylpiperazin-1-ium-1-yl)ethanamide Openeye Name: 2-(4-allylpiperazin-1-ium-1-yl)-N-[3-(2-methylbenzoyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]acetamide CAS Name: N-[3-[(2-methylphenyl)-oxomethyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]-2-(4-prop-2-enyl-1-piperazin-1-iumyl)acetamide IUPAC Name: N-[3-(2-methylbenzoyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]-2-(4-prop-2-enylpiperazin-1-ium-1-yl)acetamide Traditional Name: 2-(4-allylpiperazin-1-ium-1-yl)-N-(3-o-toluoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)acetamide Formula: C24H30N3O2S+ MolecularWeight: 424.5789

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)C2=C(SC3=C2CCC3)NC(=O)C[NH+]4CCN(CC4)CC=C

Isomeric SMILES

CC1=CC=CC=C1C(=O)C2=C(SC3=C2CCC3)NC(=O)C[NH+]4CCN(CC4)CC=C

InChI

InChI=1S/C24H29N3O2S/c1-3-11-26-12-14-27(15-13-26)16-21(28)25-24-22(19-9-6-10-20(19)30-24)23(29)18-8-5-4-7-17(18)2/h3-5,7-8H,1,6,9-16H2,2H3,(H,25,28)/p+1