1-(phenylmethyl)sulfonyl-4-pyridin-1-ium-2-yl-piperazine

Systemtic Name: 1-(phenylmethyl)sulfonyl-4-pyridin-1-ium-2-yl-piperazine Openeye Name: 1-benzylsulfonyl-4-pyridin-1-ium-2-yl-piperazine CAS Name: 1-(phenylmethyl)sulfonyl-4-(2-pyridin-1-iumyl)piperazine IUPAC Name: 1-benzylsulfonyl-4-pyridin-1-ium-2-ylpiperazine Traditional Name: 1-benzylsulfonyl-4-pyridin-1-ium-2-yl-piperazine Formula: C16H20N3O2S+ MolecularWeight: 318.4139

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)S(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C16H19N3O2S/c20-22(21,14-15-6-2-1-3-7-15)19-12-10-18(11-13-19)16-8-4-5-9-17-16/h1-9H,10-14H2/p+1