(2S,6S)-4-[4-(1-benzothiophen-3-ylmethyl)piperazin-4-ium-1-yl]sulfonyl-2,6-dimethyl-morpholine

Systemtic Name: (2S,6S)-4-[4-(1-benzothiophen-3-ylmethyl)piperazin-4-ium-1-yl]sulfonyl-2,6-dimethyl-morpholine Openeye Name: (2S,6S)-4-[4-(benzothiophen-3-ylmethyl)piperazin-4-ium-1-yl]sulfonyl-2,6-dimethyl-morpholine CAS Name: (2S,6S)-4-[[4-(1-benzothiophen-3-ylmethyl)-1-piperazin-4-iumyl]sulfonyl]-2,6-dimethylmorpholine IUPAC Name: (2S,6S)-4-[4-(1-benzothiophen-3-ylmethyl)piperazin-4-ium-1-yl]sulfonyl-2,6-dimethylmorpholine Traditional Name: (2S,6S)-4-[4-(benzothiophen-3-ylmethyl)piperazin-4-ium-1-yl]sulfonyl-2,6-dimethyl-morpholine Formula: C19H28N3O3S2+ MolecularWeight: 410.57392

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC(O1)C)S(=O)(=O)N2CC[NH+](CC2)CC3=CSC4=CC=CC=C43

Isomeric SMILES

C[C@H]1CN(C[C@@H](O1)C)S(=O)(=O)N2CC[NH+](CC2)CC3=CSC4=CC=CC=C43

InChI

InChI=1S/C19H27N3O3S2/c1-15-11-22(12-16(2)25-15)27(23,24)21-9-7-20(8-10-21)13-17-14-26-19-6-4-3-5-18(17)19/h3-6,14-16H,7-13H2,1-2H3/p+1/t15-,16-/m0/s1