1-(3-piperidin-1-ylsulfonylpyridin-1-ium-4-yl)-4-prop-2-enyl-piperazin-4-ium

Systemtic Name: 1-(3-piperidin-1-ylsulfonylpyridin-1-ium-4-yl)-4-prop-2-enyl-piperazin-4-ium Openeye Name: 1-allyl-4-[3-(1-piperidylsulfonyl)pyridin-1-ium-4-yl]piperazin-1-ium CAS Name: 1-[3-(1-piperidinylsulfonyl)-4-pyridin-1-iumyl]-4-prop-2-enylpiperazin-4-ium IUPAC Name: 1-(3-piperidin-1-ylsulfonylpyridin-1-ium-4-yl)-4-prop-2-enylpiperazin-4-ium Traditional Name: 1-allyl-4-(3-piperidinosulfonylpyridin-1-ium-4-yl)piperazin-1-ium Formula: C17H28N4O2S+2 MolecularWeight: 352.49482

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Descriptors Computed from Structure

Canonical SMILES:

C=CC[NH+]1CCN(CC1)C2=C(C=[NH+]C=C2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

C=CC[NH+]1CCN(CC1)C2=C(C=[NH+]C=C2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C17H26N4O2S/c1-2-8-19-11-13-20(14-12-19)16-6-7-18-15-17(16)24(22,23)21-9-4-3-5-10-21/h2,6-7,15H,1,3-5,8-14H2/p+2