[1-[2-(3-propan-2-ylphenoxy)ethyl]piperidin-1-ium-4-yl]methylazanium

Systemtic Name: [1-[2-(3-propan-2-ylphenoxy)ethyl]piperidin-1-ium-4-yl]methylazanium Openeye Name: [1-[2-(3-isopropylphenoxy)ethyl]piperidin-1-ium-4-yl]methylammonium CAS Name: [1-[2-(3-propan-2-ylphenoxy)ethyl]-4-piperidin-1-iumyl]methylammonium IUPAC Name: [1-[2-(3-propan-2-ylphenoxy)ethyl]piperidin-1-ium-4-yl]methylazanium Traditional Name: [1-[2-(3-isopropylphenoxy)ethyl]piperidin-1-ium-4-yl]methylammonium Formula: C17H30N2O+2 MolecularWeight: 278.4329

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=CC=C1)OCC[NH+]2CCC(CC2)C[NH3+]

Isomeric SMILES

CC(C)C1=CC(=CC=C1)OCC[NH+]2CCC(CC2)C[NH3+]

InChI

InChI=1S/C17H28N2O/c1-14(2)16-4-3-5-17(12-16)20-11-10-19-8-6-15(13-18)7-9-19/h3-5,12,14-15H,6-11,13,18H2,1-2H3/p+2