N-[(1R,2R)-1-[4-(phenylmethyl)piperazine-1,4-diium-1-yl]-1-thiophen-2-yl-propan-2-yl]benzamide

Systemtic Name: N-[(1R,2R)-1-[4-(phenylmethyl)piperazine-1,4-diium-1-yl]-1-thiophen-2-yl-propan-2-yl]benzamide Openeye Name: N-[(1R,2R)-2-(4-benzylpiperazine-1,4-diium-1-yl)-1-methyl-2-(2-thienyl)ethyl]benzamide CAS Name: N-[(1R,2R)-1-[4-(phenylmethyl)-1-piperazine-1,4-diiumyl]-1-thiophen-2-ylpropan-2-yl]benzamide IUPAC Name: N-[(1R,2R)-1-(4-benzylpiperazine-1,4-diium-1-yl)-1-thiophen-2-ylpropan-2-yl]benzamide Traditional Name: N-[(1R,2R)-2-(4-benzylpiperazine-1,4-diium-1-yl)-1-methyl-2-(2-thienyl)ethyl]benzamide Formula: C25H31N3OS+2 MolecularWeight: 421.59814

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(C1=CC=CS1)[NH+]2CC[NH+](CC2)CC3=CC=CC=C3)NC(=O)C4=CC=CC=C4

Isomeric SMILES

C[C@H]([C@H](C1=CC=CS1)[NH+]2CC[NH+](CC2)CC3=CC=CC=C3)NC(=O)C4=CC=CC=C4

InChI

InChI=1S/C25H29N3OS/c1-20(26-25(29)22-11-6-3-7-12-22)24(23-13-8-18-30-23)28-16-14-27(15-17-28)19-21-9-4-2-5-10-21/h2-13,18,20,24H,14-17,19H2,1H3,(H,26,29)/p+2/t20-,24-/m1/s1