[(3S)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidin-3-yl]-methyl-(2-pyridin-2-ylethyl)azanium

Systemtic Name: [(3S)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidin-3-yl]-methyl-(2-pyridin-2-ylethyl)azanium Openeye Name: [(3S)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-3-piperidyl]-methyl-[2-(2-pyridyl)ethyl]ammonium CAS Name: [(3S)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-3-piperidinyl]-methyl-[2-(2-pyridinyl)ethyl]ammonium IUPAC Name: [(3S)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidin-3-yl]-methyl-(2-pyridin-2-ylethyl)azanium Traditional Name: [(3S)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-3-piperidyl]-methyl-[2-(2-pyridyl)ethyl]ammonium Formula: C21H28N3O4S+ MolecularWeight: 418.52972

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCC1=CC=CC=N1)C2CCCN(C2)S(=O)(=O)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

C[NH+](CCC1=CC=CC=N1)[C@H]2CCCN(C2)S(=O)(=O)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C21H27N3O4S/c1-23(12-9-17-5-2-3-10-22-17)18-6-4-11-24(16-18)29(25,26)19-7-8-20-21(15-19)28-14-13-27-20/h2-3,5,7-8,10,15,18H,4,6,9,11-14,16H2,1H3/p+1/t18-/m0/s1