3,4,5-trimethoxy-N-[(2R)-2-(4-methylpiperazine-1,4-diium-1-yl)-2-thiophen-2-yl-ethyl]benzamide

Systemtic Name: 3,4,5-trimethoxy-N-[(2R)-2-(4-methylpiperazine-1,4-diium-1-yl)-2-thiophen-2-yl-ethyl]benzamide Openeye Name: 3,4,5-trimethoxy-N-[(2R)-2-(4-methylpiperazine-1,4-diium-1-yl)-2-(2-thienyl)ethyl]benzamide CAS Name: 3,4,5-trimethoxy-N-[(2R)-2-(4-methyl-1-piperazine-1,4-diiumyl)-2-thiophen-2-ylethyl]benzamide IUPAC Name: 3,4,5-trimethoxy-N-[(2R)-2-(4-methylpiperazine-1,4-diium-1-yl)-2-thiophen-2-ylethyl]benzamide Traditional Name: 3,4,5-trimethoxy-N-[(2R)-2-(4-methylpiperazine-1,4-diium-1-yl)-2-(2-thienyl)ethyl]benzamide Formula: C21H31N3O4S+2 MolecularWeight: 421.55354

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CC[NH+](CC1)C(CNC(=O)C2=CC(=C(C(=C2)OC)OC)OC)C3=CC=CS3

Isomeric SMILES

C[NH+]1CC[NH+](CC1)[C@H](CNC(=O)C2=CC(=C(C(=C2)OC)OC)OC)C3=CC=CS3

InChI

InChI=1S/C21H29N3O4S/c1-23-7-9-24(10-8-23)16(19-6-5-11-29-19)14-22-21(25)15-12-17(26-2)20(28-4)18(13-15)27-3/h5-6,11-13,16H,7-10,14H2,1-4H3,(H,22,25)/p+2/t16-/m1/s1