4-[(2-azanyl-2-azanylidene-1-piperidin-4-yl-ethyl)amino]benzenesulfonic acid

Systemtic Name: 4-[(2-azanyl-2-azanylidene-1-piperidin-4-yl-ethyl)amino]benzenesulfonic acid Openeye Name: 4-[[2-amino-2-imino-1-(4-piperidyl)ethyl]amino]benzenesulfonic acid CAS Name: 4-[[2-amino-2-imino-1-(4-piperidinyl)ethyl]amino]benzenesulfonic acid IUPAC Name: 4-[(2-amino-2-imino-1-piperidin-4-ylethyl)amino]benzenesulfonic acid Traditional Name: 4-[[2-amino-2-imino-1-(4-piperidyl)ethyl]amino]besylic acid Formula: C13H20N4O3S MolecularWeight: 312.3879

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1C(C(=N)N)NC2=CC=C(C=C2)S(=O)(=O)O

Isomeric SMILES

C1CNCCC1C(C(=N)N)NC2=CC=C(C=C2)S(=O)(=O)O

InChI

InChI=1S/C13H20N4O3S/c14-13(15)12(9-5-7-16-8-6-9)17-10-1-3-11(4-2-10)21(18,19)20/h1-4,9,12,16-17H,5-8H2,(H3,14,15)(H,18,19,20)