2-[4-(phenylmethyl)sulfonylpiperazin-1-ium-1-yl]-N-prop-2-enyl-ethanamide

Systemtic Name: 2-[4-(phenylmethyl)sulfonylpiperazin-1-ium-1-yl]-N-prop-2-enyl-ethanamide Openeye Name: N-allyl-2-(4-benzylsulfonylpiperazin-1-ium-1-yl)acetamide CAS Name: 2-[4-(phenylmethyl)sulfonyl-1-piperazin-1-iumyl]-N-prop-2-enylacetamide IUPAC Name: 2-(4-benzylsulfonylpiperazin-1-ium-1-yl)-N-prop-2-enylacetamide Traditional Name: N-allyl-2-(4-benzylsulfonylpiperazin-1-ium-1-yl)acetamide Formula: C16H24N3O3S+ MolecularWeight: 338.44506

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=O)C[NH+]1CCN(CC1)S(=O)(=O)CC2=CC=CC=C2

Isomeric SMILES

C=CCNC(=O)C[NH+]1CCN(CC1)S(=O)(=O)CC2=CC=CC=C2

InChI

InChI=1S/C16H23N3O3S/c1-2-8-17-16(20)13-18-9-11-19(12-10-18)23(21,22)14-15-6-4-3-5-7-15/h2-7H,1,8-14H2,(H,17,20)/p+1