sodium [2-azanyl-2-(cycloheptylmethylimino)ethyl]sulfanyl-oxidanyl-phosphinate hydrate

Systemtic Name: sodium [2-azanyl-2-(cycloheptylmethylimino)ethyl]sulfanyl-oxidanyl-phosphinate hydrate Openeye Name: sodium [2-amino-2-(cycloheptylmethylimino)ethyl]sulfanyl-hydroxy-phosphinate hydrate CAS Name: sodium [[2-amino-2-(cycloheptylmethylimino)ethyl]thio]-hydroxyphosphinate hydrate IUPAC Name: sodium [2-amino-2-(cycloheptylmethylimino)ethyl]sulfanyl-hydroxyphosphinate hydrate Traditional Name: sodium [[2-amino-2-(cycloheptylmethylimino)ethyl]thio]-hydroxy-phosphinate hydrate Formula: C10H22N2NaO4PS MolecularWeight: 320.321211

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)CN=C(CSP(=O)(O)[O-])N.O.[Na+]

Isomeric SMILES

C1CCCC(CC1)CN=C(CSP(=O)(O)[O-])N.O.[Na+]

InChI

InChI=1S/C10H21N2O3PS.Na.H2O/c11-10(8-17-16(13,14)15)12-7-9-5-3-1-2-4-6-9;;/h9H,1-8H2,(H2,11,12)(H2,13,14,15);;1H2/q;+1;/p-1