2-(3,4-dimethoxyphenyl)-N-[(1S,2R)-1-(4-methylpiperazin-4-ium-1-yl)-1-thiophen-2-yl-propan-2-yl]ethanamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C1=CC=CS1)N2CC[NH+](CC2)C)NC(=O)CC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

C[C@H]([C@@H](C1=CC=CS1)N2CC[NH+](CC2)C)NC(=O)CC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C22H31N3O3S/c1-16(22(20-6-5-13-29-20)25-11-9-24(2)10-12-25)23-21(26)15-17-7-8-18(27-3)19(14-17)28-4/h5-8,13-14,16,22H,9-12,15H2,1-4H3,(H,23,26)/p+1/t16-,22+/m1/s1