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

Systemtic Name: sodium [2-azanyl-2-[[3-(3,4-dimethylphenyl)-1-adamantyl]methylimino]ethyl]sulfanyl-oxidanyl-phosphinate Openeye Name: sodium [2-amino-2-[[3-(3,4-dimethylphenyl)-1-adamantyl]methylimino]ethyl]sulfanyl-hydroxy-phosphinate CAS Name: sodium [[2-amino-2-[[3-(3,4-dimethylphenyl)-1-adamantyl]methylimino]ethyl]thio]-hydroxyphosphinate IUPAC Name: sodium [2-amino-2-[[3-(3,4-dimethylphenyl)-1-adamantyl]methylimino]ethyl]sulfanyl-hydroxyphosphinate Traditional Name: sodium [[2-amino-2-[[3-(3,4-dimethylphenyl)-1-adamantyl]methylimino]ethyl]thio]-hydroxy-phosphinate Formula: C21H30N2NaO3PS MolecularWeight: 444.503031

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C23CC4CC(C2)CC(C4)(C3)CN=C(CSP(=O)(O)[O-])N)C.[Na+]

Isomeric SMILES

CC1=C(C=C(C=C1)C23CC4CC(C2)CC(C4)(C3)CN=C(CSP(=O)(O)[O-])N)C.[Na+]

InChI

InChI=1S/C21H31N2O3PS.Na/c1-14-3-4-18(5-15(14)2)21-9-16-6-17(10-21)8-20(7-16,12-21)13-23-19(22)11-28-27(24,25)26;/h3-5,16-17H,6-13H2,1-2H3,(H2,22,23)(H2,24,25,26);/q;+1/p-1