1-[3-(1,3-benzodioxol-5-yloxy)propylsulfonyl]-4-pyridin-1-ium-2-yl-piperazine

Systemtic Name: 1-[3-(1,3-benzodioxol-5-yloxy)propylsulfonyl]-4-pyridin-1-ium-2-yl-piperazine Openeye Name: 1-[3-(1,3-benzodioxol-5-yloxy)propylsulfonyl]-4-pyridin-1-ium-2-yl-piperazine CAS Name: 1-[3-(1,3-benzodioxol-5-yloxy)propylsulfonyl]-4-(2-pyridin-1-iumyl)piperazine IUPAC Name: 1-[3-(1,3-benzodioxol-5-yloxy)propylsulfonyl]-4-pyridin-1-ium-2-ylpiperazine Traditional Name: 1-[3-(1,3-benzodioxol-5-yloxy)propylsulfonyl]-4-pyridin-1-ium-2-yl-piperazine Formula: C19H24N3O5S+ MolecularWeight: 406.47596

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)S(=O)(=O)CCCOC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)S(=O)(=O)CCCOC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C19H23N3O5S/c23-28(24,22-10-8-21(9-11-22)19-4-1-2-7-20-19)13-3-12-25-16-5-6-17-18(14-16)27-15-26-17/h1-2,4-7,14H,3,8-13,15H2/p+1