1-[2-(4-cyclohexylphenyl)-2-pentoxy-ethyl]pyridin-1-ium bromide

Systemtic Name: 1-[2-(4-cyclohexylphenyl)-2-pentoxy-ethyl]pyridin-1-ium bromide Openeye Name: 1-[2-(4-cyclohexylphenyl)-2-pentoxy-ethyl]pyridin-1-ium bromide CAS Name: 1-[2-(4-cyclohexylphenyl)-2-pentoxyethyl]pyridin-1-ium bromide IUPAC Name: 1-[2-(4-cyclohexylphenyl)-2-pentoxyethyl]pyridin-1-ium bromide Traditional Name: 1-[2-amoxy-2-(4-cyclohexylphenyl)ethyl]pyridin-1-ium bromide Formula: C24H34BrNO MolecularWeight: 432.43686

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(C[N+]1=CC=CC=C1)C2=CC=C(C=C2)C3CCCCC3.[Br-]

Isomeric SMILES

CCCCCOC(C[N+]1=CC=CC=C1)C2=CC=C(C=C2)C3CCCCC3.[Br-]

InChI

InChI=1S/C24H34NO.BrH/c1-2-3-10-19-26-24(20-25-17-8-5-9-18-25)23-15-13-22(14-16-23)21-11-6-4-7-12-21;/h5,8-9,13-18,21,24H,2-4,6-7,10-12,19-20H2,1H3;1H/q+1;/p-1