1,1-dimethylpiperidin-1-ium-4-ol; 3-methyl-2-phenyl-pentanoate; hydrobromide

Systemtic Name: 1,1-dimethylpiperidin-1-ium-4-ol; 3-methyl-2-phenyl-pentanoate; hydrobromide Openeye Name: 1,1-dimethylpiperidin-1-ium-4-ol; 3-methyl-2-phenyl-pentanoate; hydrobromide CAS Name: 1,1-dimethyl-4-piperidin-1-iumol; 3-methyl-2-phenylpentanoate; hydrobromide IUPAC Name: 1,1-dimethylpiperidin-1-ium-4-ol; 3-methyl-2-phenylpentanoate; hydrobromide Traditional Name: 1,1-dimethylpiperidin-1-ium-4-ol; 3-methyl-2-phenyl-valerate; hydrobromide Formula: C19H32BrNO3 MolecularWeight: 402.36628

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C1=CC=CC=C1)C(=O)[O-].C[N+]1(CCC(CC1)O)C.Br

Isomeric SMILES

CCC(C)C(C1=CC=CC=C1)C(=O)[O-].C[N+]1(CCC(CC1)O)C.Br

InChI

InChI=1S/C12H16O2.C7H16NO.BrH/c1-3-9(2)11(12(13)14)10-7-5-4-6-8-10;1-8(2)5-3-7(9)4-6-8;/h4-9,11H,3H2,1-2H3,(H,13,14);7,9H,3-6H2,1-2H3;1H/q;+1;/p-1