1-[2-pentoxy-2-(4-propan-2-ylphenyl)ethyl]pyridin-1-ium

Systemtic Name: 1-[2-pentoxy-2-(4-propan-2-ylphenyl)ethyl]pyridin-1-ium Openeye Name: 1-[2-(4-isopropylphenyl)-2-pentoxy-ethyl]pyridin-1-ium CAS Name: 1-[2-pentoxy-2-(4-propan-2-ylphenyl)ethyl]pyridin-1-ium IUPAC Name: 1-[2-pentoxy-2-(4-propan-2-ylphenyl)ethyl]pyridin-1-ium Traditional Name: 1-(2-amoxy-2-p-cumenyl-ethyl)pyridin-1-ium Formula: C21H30NO+ MolecularWeight: 312.469

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(C[N+]1=CC=CC=C1)C2=CC=C(C=C2)C(C)C

Isomeric SMILES

CCCCCOC(C[N+]1=CC=CC=C1)C2=CC=C(C=C2)C(C)C

InChI

InChI=1S/C21H30NO/c1-4-5-9-16-23-21(17-22-14-7-6-8-15-22)20-12-10-19(11-13-20)18(2)3/h6-8,10-15,18,21H,4-5,9,16-17H2,1-3H3/q+1