(2R)-1-(1H-indol-3-yl)-2-[4-(thiophen-2-ylmethyl)piperazine-1,4-diium-1-yl]propan-1-one

Systemtic Name: (2R)-1-(1H-indol-3-yl)-2-[4-(thiophen-2-ylmethyl)piperazine-1,4-diium-1-yl]propan-1-one Openeye Name: (2R)-1-(1H-indol-3-yl)-2-[4-(2-thienylmethyl)piperazine-1,4-diium-1-yl]propan-1-one CAS Name: (2R)-1-(1H-indol-3-yl)-2-[4-(thiophen-2-ylmethyl)-1-piperazine-1,4-diiumyl]-1-propanone IUPAC Name: (2R)-1-(1H-indol-3-yl)-2-[4-(thiophen-2-ylmethyl)piperazine-1,4-diium-1-yl]propan-1-one Traditional Name: (2R)-1-(1H-indol-3-yl)-2-[4-(2-thenyl)piperazine-1,4-diium-1-yl]propan-1-one Formula: C20H25N3OS+2 MolecularWeight: 355.497

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CNC2=CC=CC=C21)[NH+]3CC[NH+](CC3)CC4=CC=CS4

Isomeric SMILES

C[C@H](C(=O)C1=CNC2=CC=CC=C21)[NH+]3CC[NH+](CC3)CC4=CC=CS4

InChI

InChI=1S/C20H23N3OS/c1-15(20(24)18-13-21-19-7-3-2-6-17(18)19)23-10-8-22(9-11-23)14-16-5-4-12-25-16/h2-7,12-13,15,21H,8-11,14H2,1H3/p+2/t15-/m1/s1