2-piperazin-1-yl-5-propyl-benzenesulfonic acid hydrochloride

Systemtic Name: 2-piperazin-1-yl-5-propyl-benzenesulfonic acid hydrochloride Openeye Name: 2-piperazin-1-yl-5-propyl-benzenesulfonic acid hydrochloride CAS Name: 2-(1-piperazinyl)-5-propylbenzenesulfonic acid hydrochloride IUPAC Name: 2-piperazin-1-yl-5-propylbenzenesulfonic acid hydrochloride Traditional Name: 2-piperazino-5-propyl-besylic acid hydrochloride Formula: C13H21ClN2O3S MolecularWeight: 320.83544

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=C(C=C1)N2CCNCC2)S(=O)(=O)O.Cl

Isomeric SMILES

CCCC1=CC(=C(C=C1)N2CCNCC2)S(=O)(=O)O.Cl

InChI

InChI=1S/C13H20N2O3S.ClH/c1-2-3-11-4-5-12(13(10-11)19(16,17)18)15-8-6-14-7-9-15;/h4-5,10,14H,2-3,6-9H2,1H3,(H,16,17,18);1H