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

Systemtic Name: 3,4-dimethoxy-N-[(1S,2R)-1-(4-methylpiperazin-4-ium-1-yl)-1-thiophen-2-yl-propan-2-yl]benzamide Openeye Name: 3,4-dimethoxy-N-[(1R,2S)-1-methyl-2-(4-methylpiperazin-4-ium-1-yl)-2-(2-thienyl)ethyl]benzamide CAS Name: 3,4-dimethoxy-N-[(1S,2R)-1-(4-methyl-1-piperazin-4-iumyl)-1-thiophen-2-ylpropan-2-yl]benzamide IUPAC Name: 3,4-dimethoxy-N-[(1S,2R)-1-(4-methylpiperazin-4-ium-1-yl)-1-thiophen-2-ylpropan-2-yl]benzamide Traditional Name: 3,4-dimethoxy-N-[(1R,2S)-1-methyl-2-(4-methylpiperazin-4-ium-1-yl)-2-(2-thienyl)ethyl]benzamide Formula: C21H30N3O3S+ MolecularWeight: 404.5462

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29N3O3S/c1-15(22-21(25)16-7-8-17(26-3)18(14-16)27-4)20(19-6-5-13-28-19)24-11-9-23(2)10-12-24/h5-8,13-15,20H,9-12H2,1-4H3,(H,22,25)/p+1/t15-,20+/m1/s1