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

Systemtic Name: methyl-(2-pyridin-2-ylethyl)-[(3S)-1-pyridin-3-ylsulfonylpiperidin-3-yl]azanium Openeye Name: methyl-[2-(2-pyridyl)ethyl]-[(3S)-1-(3-pyridylsulfonyl)-3-piperidyl]ammonium CAS Name: methyl-[2-(2-pyridinyl)ethyl]-[(3S)-1-(3-pyridinylsulfonyl)-3-piperidinyl]ammonium IUPAC Name: methyl-(2-pyridin-2-ylethyl)-[(3S)-1-pyridin-3-ylsulfonylpiperidin-3-yl]azanium Traditional Name: methyl-[2-(2-pyridyl)ethyl]-[(3S)-1-(3-pyridylsulfonyl)-3-piperidyl]ammonium Formula: C18H25N4O2S+ MolecularWeight: 361.4817

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24N4O2S/c1-21(13-9-16-6-2-3-11-20-16)17-7-5-12-22(15-17)25(23,24)18-8-4-10-19-14-18/h2-4,6,8,10-11,14,17H,5,7,9,12-13,15H2,1H3/p+1/t17-/m0/s1