adamantane-1-sulfonate; 1,3-dimethylbenzimidazol-3-ium

Systemtic Name: adamantane-1-sulfonate; 1,3-dimethylbenzimidazol-3-ium Openeye Name: adamantane-1-sulfonate; 1,3-dimethylbenzimidazol-3-ium CAS Name: 1-adamantanesulfonate; 1,3-dimethylbenzimidazol-3-ium IUPAC Name: adamantane-1-sulfonate; 1,3-dimethylbenzimidazol-3-ium Traditional Name: adamantane-1-sulfonate; 1,3-dimethylbenzimidazol-3-ium Formula: C19H26N2O3S MolecularWeight: 362.48634

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=[N+](C2=CC=CC=C21)C.C1C2CC3CC1CC(C2)(C3)S(=O)(=O)[O-]

Isomeric SMILES

CN1C=[N+](C2=CC=CC=C21)C.C1C2CC3CC1CC(C2)(C3)S(=O)(=O)[O-]

InChI

InChI=1S/C10H16O3S.C9H11N2/c11-14(12,13)10-4-7-1-8(5-10)3-9(2-7)6-10;1-10-7-11(2)9-6-4-3-5-8(9)10/h7-9H,1-6H2,(H,11,12,13);3-7H,1-2H3/q;+1/p-1