(2R)-1-(1H-indol-3-yl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)propan-1-one

Systemtic Name: (2R)-1-(1H-indol-3-yl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)propan-1-one Openeye Name: (2R)-1-(1H-indol-3-yl)-2-[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]propan-1-one CAS Name: (2R)-1-(1H-indol-3-yl)-2-(4-thiophen-2-ylsulfonyl-1-piperazin-1-iumyl)-1-propanone IUPAC Name: (2R)-1-(1H-indol-3-yl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)propan-1-one Traditional Name: (2R)-1-(1H-indol-3-yl)-2-[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]propan-1-one Formula: C19H22N3O3S2+ MolecularWeight: 404.52628

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CNC2=CC=CC=C21)[NH+]3CCN(CC3)S(=O)(=O)C4=CC=CS4

Isomeric SMILES

C[C@H](C(=O)C1=CNC2=CC=CC=C21)[NH+]3CCN(CC3)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C19H21N3O3S2/c1-14(19(23)16-13-20-17-6-3-2-5-15(16)17)21-8-10-22(11-9-21)27(24,25)18-7-4-12-26-18/h2-7,12-14,20H,8-11H2,1H3/p+1/t14-/m1/s1