(2R)-N-(2,3-dihydro-1H-inden-5-yl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)propanamide

Systemtic Name: (2R)-N-(2,3-dihydro-1H-inden-5-yl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)propanamide Openeye Name: (2R)-N-indan-5-yl-2-[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]propanamide CAS Name: (2R)-N-(2,3-dihydro-1H-inden-5-yl)-2-(4-thiophen-2-ylsulfonyl-1-piperazin-1-iumyl)propanamide IUPAC Name: (2R)-N-(2,3-dihydro-1H-inden-5-yl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)propanamide Traditional Name: (2R)-N-indan-5-yl-2-[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]propionamide Formula: C20H26N3O3S2+ MolecularWeight: 420.56874

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC2=C(CCC2)C=C1)[NH+]3CCN(CC3)S(=O)(=O)C4=CC=CS4

Isomeric SMILES

C[C@H](C(=O)NC1=CC2=C(CCC2)C=C1)[NH+]3CCN(CC3)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C20H25N3O3S2/c1-15(20(24)21-18-8-7-16-4-2-5-17(16)14-18)22-9-11-23(12-10-22)28(25,26)19-6-3-13-27-19/h3,6-8,13-15H,2,4-5,9-12H2,1H3,(H,21,24)/p+1/t15-/m1/s1