(3S)-1-(1-benzothiophen-2-ylmethyl)-3-[(dimethylsulfamoylamino)methyl]piperidin-1-ium

Systemtic Name: (3S)-1-(1-benzothiophen-2-ylmethyl)-3-[(dimethylsulfamoylamino)methyl]piperidin-1-ium Openeye Name: (3S)-1-(benzothiophen-2-ylmethyl)-3-[(dimethylsulfamoylamino)methyl]piperidin-1-ium CAS Name: (3S)-1-(1-benzothiophen-2-ylmethyl)-3-[(dimethylsulfamoylamino)methyl]piperidin-1-ium IUPAC Name: (3S)-1-(1-benzothiophen-2-ylmethyl)-3-[(dimethylsulfamoylamino)methyl]piperidin-1-ium Traditional Name: (3S)-1-(benzothiophen-2-ylmethyl)-3-[(dimethylsulfamoylamino)methyl]piperidin-1-ium Formula: C17H26N3O2S2+ MolecularWeight: 368.53724

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)NCC1CCC[NH+](C1)CC2=CC3=CC=CC=C3S2

Isomeric SMILES

CN(C)S(=O)(=O)NC[C@H]1CCC[NH+](C1)CC2=CC3=CC=CC=C3S2

InChI

InChI=1S/C17H25N3O2S2/c1-19(2)24(21,22)18-11-14-6-5-9-20(12-14)13-16-10-15-7-3-4-8-17(15)23-16/h3-4,7-8,10,14,18H,5-6,9,11-13H2,1-2H3/p+1/t14-/m1/s1