1-(3-propylphenyl)piperazin-1-ium-1-sulfonic acid

Systemtic Name: 1-(3-propylphenyl)piperazin-1-ium-1-sulfonic acid Openeye Name: 1-(3-propylphenyl)piperazin-1-ium-1-sulfonic acid CAS Name: 1-(3-propylphenyl)-1-piperazin-1-iumsulfonic acid IUPAC Name: 1-(3-propylphenyl)piperazin-1-ium-1-sulfonic acid Traditional Name: 1-(3-propylphenyl)piperazin-1-ium-1-sulfonic acid Formula: C13H21N2O3S+ MolecularWeight: 285.38244

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=CC=C1)[N+]2(CCNCC2)S(=O)(=O)O

Isomeric SMILES

CCCC1=CC(=CC=C1)[N+]2(CCNCC2)S(=O)(=O)O

InChI

InChI=1S/C13H20N2O3S/c1-2-4-12-5-3-6-13(11-12)15(19(16,17)18)9-7-14-8-10-15/h3,5-6,11,14H,2,4,7-10H2,1H3/p+1