3-[4-[(2,6-dimethoxyphenyl)methyl]piperazin-1-ium-1-yl]propylazanium

Systemtic Name: 3-[4-[(2,6-dimethoxyphenyl)methyl]piperazin-1-ium-1-yl]propylazanium Openeye Name: 3-[4-[(2,6-dimethoxyphenyl)methyl]piperazin-1-ium-1-yl]propylammonium CAS Name: 3-[4-[(2,6-dimethoxyphenyl)methyl]-1-piperazin-1-iumyl]propylammonium IUPAC Name: 3-[4-[(2,6-dimethoxyphenyl)methyl]piperazin-1-ium-1-yl]propylazanium Traditional Name: 3-[4-(2,6-dimethoxybenzyl)piperazin-1-ium-1-yl]propylammonium Formula: C16H29N3O2+2 MolecularWeight: 295.42036

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC=C1)OC)CN2CC[NH+](CC2)CCC[NH3+]

Isomeric SMILES

COC1=C(C(=CC=C1)OC)CN2CC[NH+](CC2)CCC[NH3+]

InChI

InChI=1S/C16H27N3O2/c1-20-15-5-3-6-16(21-2)14(15)13-19-11-9-18(10-12-19)8-4-7-17/h3,5-6H,4,7-13,17H2,1-2H3/p+2