1-methyl-1-phenethyl-piperidin-1-ium-4-ol; 3,4,5-trimethoxybenzoate; hydrobromide

Systemtic Name: 1-methyl-1-phenethyl-piperidin-1-ium-4-ol; 3,4,5-trimethoxybenzoate; hydrobromide Openeye Name: 1-methyl-1-phenethyl-piperidin-1-ium-4-ol; 3,4,5-trimethoxybenzoate; hydrobromide CAS Name: 1-methyl-1-phenethyl-4-piperidin-1-iumol; 3,4,5-trimethoxybenzoate; hydrobromide IUPAC Name: 1-methyl-1-phenethylpiperidin-1-ium-4-ol; 3,4,5-trimethoxybenzoate; hydrobromide Traditional Name: 1-methyl-1-phenethyl-piperidin-1-ium-4-ol; 3,4,5-trimethoxybenzoate; hydrobromide Formula: C24H34BrNO6 MolecularWeight: 512.43386

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCC(CC1)O)CCC2=CC=CC=C2.COC1=CC(=CC(=C1OC)OC)C(=O)[O-].Br

Isomeric SMILES

C[N+]1(CCC(CC1)O)CCC2=CC=CC=C2.COC1=CC(=CC(=C1OC)OC)C(=O)[O-].Br

InChI

InChI=1S/C14H22NO.C10H12O5.BrH/c1-15(11-8-14(16)9-12-15)10-7-13-5-3-2-4-6-13;1-13-7-4-6(10(11)12)5-8(14-2)9(7)15-3;/h2-6,14,16H,7-12H2,1H3;4-5H,1-3H3,(H,11,12);1H/q+1;;/p-1