N-[(1R,2S)-1-(4-ethylpiperazin-4-ium-1-yl)-1-thiophen-2-yl-propan-2-yl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[(1R,2S)-1-(4-ethylpiperazin-4-ium-1-yl)-1-thiophen-2-yl-propan-2-yl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[(1S,2R)-2-(4-ethylpiperazin-4-ium-1-yl)-1-methyl-2-(2-thienyl)ethyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[(1R,2S)-1-(4-ethyl-1-piperazin-4-iumyl)-1-thiophen-2-ylpropan-2-yl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[(1R,2S)-1-(4-ethylpiperazin-4-ium-1-yl)-1-thiophen-2-ylpropan-2-yl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[(1S,2R)-2-(4-ethylpiperazin-4-ium-1-yl)-1-methyl-2-(2-thienyl)ethyl]-piperonylamide Formula: C21H28N3O3S+ MolecularWeight: 402.53032

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C(C2=CC=CS2)C(C)NC(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC[NH+]1CCN(CC1)[C@@H](C2=CC=CS2)[C@H](C)NC(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H27N3O3S/c1-3-23-8-10-24(11-9-23)20(19-5-4-12-28-19)15(2)22-21(25)16-6-7-17-18(13-16)27-14-26-17/h4-7,12-13,15,20H,3,8-11,14H2,1-2H3,(H,22,25)/p+1/t15-,20+/m0/s1