N-[(1R,2S)-1-(4-ethylpiperazin-4-ium-1-yl)-1-thiophen-2-yl-propan-2-yl]-3,4-dimethoxy-benzamide

Systemtic Name: N-[(1R,2S)-1-(4-ethylpiperazin-4-ium-1-yl)-1-thiophen-2-yl-propan-2-yl]-3,4-dimethoxy-benzamide Openeye Name: N-[(1S,2R)-2-(4-ethylpiperazin-4-ium-1-yl)-1-methyl-2-(2-thienyl)ethyl]-3,4-dimethoxy-benzamide CAS Name: N-[(1R,2S)-1-(4-ethyl-1-piperazin-4-iumyl)-1-thiophen-2-ylpropan-2-yl]-3,4-dimethoxybenzamide IUPAC Name: N-[(1R,2S)-1-(4-ethylpiperazin-4-ium-1-yl)-1-thiophen-2-ylpropan-2-yl]-3,4-dimethoxybenzamide Traditional Name: N-[(1S,2R)-2-(4-ethylpiperazin-4-ium-1-yl)-1-methyl-2-(2-thienyl)ethyl]-3,4-dimethoxy-benzamide Formula: C22H32N3O3S+ MolecularWeight: 418.57278

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H31N3O3S/c1-5-24-10-12-25(13-11-24)21(20-7-6-14-29-20)16(2)23-22(26)17-8-9-18(27-3)19(15-17)28-4/h6-9,14-16,21H,5,10-13H2,1-4H3,(H,23,26)/p+1/t16-,21+/m0/s1