methyl-(2-pyridin-2-ylethyl)-[(3S)-1-thiophen-3-ylsulfonylpiperidin-3-yl]azanium

Systemtic Name: methyl-(2-pyridin-2-ylethyl)-[(3S)-1-thiophen-3-ylsulfonylpiperidin-3-yl]azanium Openeye Name: methyl-[2-(2-pyridyl)ethyl]-[(3S)-1-(3-thienylsulfonyl)-3-piperidyl]ammonium CAS Name: methyl-[2-(2-pyridinyl)ethyl]-[(3S)-1-(3-thiophenylsulfonyl)-3-piperidinyl]ammonium IUPAC Name: methyl-(2-pyridin-2-ylethyl)-[(3S)-1-thiophen-3-ylsulfonylpiperidin-3-yl]azanium Traditional Name: methyl-[2-(2-pyridyl)ethyl]-[(3S)-1-(3-thienylsulfonyl)-3-piperidyl]ammonium Formula: C17H24N3O2S2+ MolecularWeight: 366.52136

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCC1=CC=CC=N1)C2CCCN(C2)S(=O)(=O)C3=CSC=C3

Isomeric SMILES

C[NH+](CCC1=CC=CC=N1)[C@H]2CCCN(C2)S(=O)(=O)C3=CSC=C3

InChI

InChI=1S/C17H23N3O2S2/c1-19(11-7-15-5-2-3-9-18-15)16-6-4-10-20(13-16)24(21,22)17-8-12-23-14-17/h2-3,5,8-9,12,14,16H,4,6-7,10-11,13H2,1H3/p+1/t16-/m0/s1