1-[1-[(2,5-dimethoxyphenyl)methyl]piperidin-1-ium-4-yl]azepan-1-ium

Systemtic Name: 1-[1-[(2,5-dimethoxyphenyl)methyl]piperidin-1-ium-4-yl]azepan-1-ium Openeye Name: 1-[1-[(2,5-dimethoxyphenyl)methyl]piperidin-1-ium-4-yl]azepan-1-ium CAS Name: 1-[1-[(2,5-dimethoxyphenyl)methyl]-4-piperidin-1-iumyl]azepan-1-ium IUPAC Name: 1-[1-[(2,5-dimethoxyphenyl)methyl]piperidin-1-ium-4-yl]azepan-1-ium Traditional Name: 1-[1-(2,5-dimethoxybenzyl)piperidin-1-ium-4-yl]azepan-1-ium Formula: C20H34N2O2+2 MolecularWeight: 334.49616

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)C[NH+]2CCC(CC2)[NH+]3CCCCCC3

Isomeric SMILES

COC1=CC(=C(C=C1)OC)C[NH+]2CCC(CC2)[NH+]3CCCCCC3

InChI

InChI=1S/C20H32N2O2/c1-23-19-7-8-20(24-2)17(15-19)16-21-13-9-18(10-14-21)22-11-5-3-4-6-12-22/h7-8,15,18H,3-6,9-14,16H2,1-2H3/p+2