3-(4-naphthalen-2-ylsulfonylpiperazin-1-ium-1-yl)propanoate

Systemtic Name: 3-(4-naphthalen-2-ylsulfonylpiperazin-1-ium-1-yl)propanoate Openeye Name: 3-[4-(2-naphthylsulfonyl)piperazin-1-ium-1-yl]propanoate CAS Name: 3-[4-(2-naphthalenylsulfonyl)-1-piperazin-1-iumyl]propanoate IUPAC Name: 3-(4-naphthalen-2-ylsulfonylpiperazin-1-ium-1-yl)propanoate Traditional Name: 3-[4-(2-naphthylsulfonyl)piperazin-1-ium-1-yl]propionate Formula: C17H20N2O4S MolecularWeight: 348.4167

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCC(=O)[O-])S(=O)(=O)C2=CC3=CC=CC=C3C=C2

Isomeric SMILES

C1CN(CC[NH+]1CCC(=O)[O-])S(=O)(=O)C2=CC3=CC=CC=C3C=C2

InChI

InChI=1S/C17H20N2O4S/c20-17(21)7-8-18-9-11-19(12-10-18)24(22,23)16-6-5-14-3-1-2-4-15(14)13-16/h1-6,13H,7-12H2,(H,20,21)