1-[1-[(2-ethoxyphenyl)methyl]piperidin-1-ium-4-yl]azepan-1-ium

Systemtic Name: 1-[1-[(2-ethoxyphenyl)methyl]piperidin-1-ium-4-yl]azepan-1-ium Openeye Name: 1-[1-[(2-ethoxyphenyl)methyl]piperidin-1-ium-4-yl]azepan-1-ium CAS Name: 1-[1-[(2-ethoxyphenyl)methyl]-4-piperidin-1-iumyl]azepan-1-ium IUPAC Name: 1-[1-[(2-ethoxyphenyl)methyl]piperidin-1-ium-4-yl]azepan-1-ium Traditional Name: 1-[1-(2-ethoxybenzyl)piperidin-1-ium-4-yl]azepan-1-ium Formula: C20H34N2O+2 MolecularWeight: 318.49676

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C[NH+]2CCC(CC2)[NH+]3CCCCCC3

Isomeric SMILES

CCOC1=CC=CC=C1C[NH+]2CCC(CC2)[NH+]3CCCCCC3

InChI

InChI=1S/C20H32N2O/c1-2-23-20-10-6-5-9-18(20)17-21-15-11-19(12-16-21)22-13-7-3-4-8-14-22/h5-6,9-10,19H,2-4,7-8,11-17H2,1H3/p+2