sodium [2-azanyl-2-[[3-(4-bromophenyl)-1-adamantyl]methylimino]ethyl]sulfanyl-oxidanyl-phosphinate

Systemtic Name: sodium [2-azanyl-2-[[3-(4-bromophenyl)-1-adamantyl]methylimino]ethyl]sulfanyl-oxidanyl-phosphinate Openeye Name: sodium [2-amino-2-[[3-(4-bromophenyl)-1-adamantyl]methylimino]ethyl]sulfanyl-hydroxy-phosphinate CAS Name: sodium [[2-amino-2-[[3-(4-bromophenyl)-1-adamantyl]methylimino]ethyl]thio]-hydroxyphosphinate IUPAC Name: sodium [2-amino-2-[[3-(4-bromophenyl)-1-adamantyl]methylimino]ethyl]sulfanyl-hydroxyphosphinate Traditional Name: sodium [[2-amino-2-[[3-(4-bromophenyl)-1-adamantyl]methylimino]ethyl]thio]-hydroxy-phosphinate Formula: C19H25BrN2NaO3PS MolecularWeight: 495.345931

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)C4=CC=C(C=C4)Br)CN=C(CSP(=O)(O)[O-])N.[Na+]

Isomeric SMILES

C1C2CC3(CC1CC(C2)(C3)C4=CC=C(C=C4)Br)CN=C(CSP(=O)(O)[O-])N.[Na+]

InChI

InChI=1S/C19H26BrN2O3PS.Na/c20-16-3-1-15(2-4-16)19-8-13-5-14(9-19)7-18(6-13,11-19)12-22-17(21)10-27-26(23,24)25;/h1-4,13-14H,5-12H2,(H2,21,22)(H2,23,24,25);/q;+1/p-1