2-(1-adamantylmethylazaniumylidene)-2-azanyl-ethanesulfonate

Systemtic Name: 2-(1-adamantylmethylazaniumylidene)-2-azanyl-ethanesulfonate Openeye Name: 2-(1-adamantylmethyliminio)-2-amino-ethanesulfonate CAS Name: 2-(1-adamantylmethyliminio)-2-aminoethanesulfonate IUPAC Name: 2-(1-adamantylmethylazaniumylidene)-2-aminoethanesulfonate Traditional Name: 2-(1-adamantylmethyliminio)-2-amino-ethanesulfonate Formula: C13H22N2O3S MolecularWeight: 286.39038

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C[NH+]=C(CS(=O)(=O)[O-])N

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C[NH+]=C(CS(=O)(=O)[O-])N

InChI

InChI=1S/C13H22N2O3S/c14-12(7-19(16,17)18)15-8-13-4-9-1-10(5-13)3-11(2-9)6-13/h9-11H,1-8H2,(H2,14,15)(H,16,17,18)