1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-(pyridin-2-ylmethyl)piperazin-4-ium

Systemtic Name: 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-(pyridin-2-ylmethyl)piperazin-4-ium Openeye Name: 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-(2-pyridylmethyl)piperazin-4-ium CAS Name: 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-(2-pyridinylmethyl)piperazin-4-ium IUPAC Name: 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-(pyridin-2-ylmethyl)piperazin-4-ium Traditional Name: 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-(2-pyridylmethyl)piperazin-4-ium Formula: C18H22N3O4S+ MolecularWeight: 376.44998

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=N2)S(=O)(=O)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=N2)S(=O)(=O)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C18H21N3O4S/c22-26(23,16-4-5-17-18(13-16)25-12-11-24-17)21-9-7-20(8-10-21)14-15-3-1-2-6-19-15/h1-6,13H,7-12,14H2/p+1