2-[(2R)-1-(2,3-dihydro-1H-inden-2-yl)-3-oxidanylidene-piperazin-1-ium-2-yl]-N-methyl-N-(thiophen-3-ylmethyl)ethanamide

Systemtic Name: 2-[(2R)-1-(2,3-dihydro-1H-inden-2-yl)-3-oxidanylidene-piperazin-1-ium-2-yl]-N-methyl-N-(thiophen-3-ylmethyl)ethanamide Openeye Name: 2-[(2R)-1-indan-2-yl-3-oxo-piperazin-1-ium-2-yl]-N-methyl-N-(3-thienylmethyl)acetamide CAS Name: 2-[(2R)-1-(2,3-dihydro-1H-inden-2-yl)-3-oxo-2-piperazin-1-iumyl]-N-methyl-N-(3-thiophenylmethyl)acetamide IUPAC Name: 2-[(2R)-1-(2,3-dihydro-1H-inden-2-yl)-3-oxopiperazin-1-ium-2-yl]-N-methyl-N-(thiophen-3-ylmethyl)acetamide Traditional Name: 2-[(2R)-1-indan-2-yl-3-keto-piperazin-1-ium-2-yl]-N-methyl-N-(3-thenyl)acetamide Formula: C21H26N3O2S+ MolecularWeight: 384.51504

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CSC=C1)C(=O)CC2C(=O)NCC[NH+]2C3CC4=CC=CC=C4C3

Isomeric SMILES

CN(CC1=CSC=C1)C(=O)C[C@@H]2C(=O)NCC[NH+]2C3CC4=CC=CC=C4C3

InChI

InChI=1S/C21H25N3O2S/c1-23(13-15-6-9-27-14-15)20(25)12-19-21(26)22-7-8-24(19)18-10-16-4-2-3-5-17(16)11-18/h2-6,9,14,18-19H,7-8,10-13H2,1H3,(H,22,26)/p+1/t19-/m1/s1