[1-[3-(2-prop-2-enylphenoxy)propyl]piperidin-1-ium-4-yl]methylazanium

Systemtic Name: [1-[3-(2-prop-2-enylphenoxy)propyl]piperidin-1-ium-4-yl]methylazanium Openeye Name: [1-[3-(2-allylphenoxy)propyl]piperidin-1-ium-4-yl]methylammonium CAS Name: [1-[3-(2-prop-2-enylphenoxy)propyl]-4-piperidin-1-iumyl]methylammonium IUPAC Name: [1-[3-(2-prop-2-enylphenoxy)propyl]piperidin-1-ium-4-yl]methylazanium Traditional Name: [1-[3-(2-allylphenoxy)propyl]piperidin-1-ium-4-yl]methylammonium Formula: C18H30N2O+2 MolecularWeight: 290.4436

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCC1=CC=CC=C1OCCC[NH+]2CCC(CC2)C[NH3+]

Isomeric SMILES

C=CCC1=CC=CC=C1OCCC[NH+]2CCC(CC2)C[NH3+]

InChI

InChI=1S/C18H28N2O/c1-2-6-17-7-3-4-8-18(17)21-14-5-11-20-12-9-16(15-19)10-13-20/h2-4,7-8,16H,1,5-6,9-15,19H2/p+2