adamantane-1-sulfonate; 1,2-dimethylquinolin-1-ium

Systemtic Name: adamantane-1-sulfonate; 1,2-dimethylquinolin-1-ium Openeye Name: adamantane-1-sulfonate; 1,2-dimethylquinolin-1-ium CAS Name: 1-adamantanesulfonate; 1,2-dimethylquinolin-1-ium IUPAC Name: adamantane-1-sulfonate; 1,2-dimethylquinolin-1-ium Traditional Name: adamantane-1-sulfonate; 1,2-dimethylquinolin-1-ium Formula: C21H27NO3S MolecularWeight: 373.50898

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C2=CC=CC=C2C=C1)C.C1C2CC3CC1CC(C2)(C3)S(=O)(=O)[O-]

Isomeric SMILES

CC1=[N+](C2=CC=CC=C2C=C1)C.C1C2CC3CC1CC(C2)(C3)S(=O)(=O)[O-]

InChI

InChI=1S/C11H12N.C10H16O3S/c1-9-7-8-10-5-3-4-6-11(10)12(9)2;11-14(12,13)10-4-7-1-8(5-10)3-9(2-7)6-10/h3-8H,1-2H3;7-9H,1-6H2,(H,11,12,13)/q+1;/p-1