methyl-[(2S)-2-oxidanyl-3-(4-thiophen-2-ylcarbonylpiperazin-1-yl)propyl]azanium

Systemtic Name: methyl-[(2S)-2-oxidanyl-3-(4-thiophen-2-ylcarbonylpiperazin-1-yl)propyl]azanium Openeye Name: [(2S)-2-hydroxy-3-[4-(thiophene-2-carbonyl)piperazin-1-yl]propyl]-methyl-ammonium CAS Name: [(2S)-2-hydroxy-3-[4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]propyl]-methylammonium IUPAC Name: [(2S)-2-hydroxy-3-[4-(thiophene-2-carbonyl)piperazin-1-yl]propyl]-methylazanium Traditional Name: [(2S)-2-hydroxy-3-[4-(2-thenoyl)piperazino]propyl]-methyl-ammonium Formula: C13H22N3O2S+ MolecularWeight: 284.39768

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Descriptors Computed from Structure

Canonical SMILES:

C[NH2+]CC(CN1CCN(CC1)C(=O)C2=CC=CS2)O

Isomeric SMILES

C[NH2+]C[C@@H](CN1CCN(CC1)C(=O)C2=CC=CS2)O

InChI

InChI=1S/C13H21N3O2S/c1-14-9-11(17)10-15-4-6-16(7-5-15)13(18)12-3-2-8-19-12/h2-3,8,11,14,17H,4-7,9-10H2,1H3/p+1/t11-/m0/s1