1-[1-[(2,5-dimethoxyphenyl)methyl]piperidin-1-ium-4-yl]-4-ethyl-piperazine-1,4-diium

Systemtic Name: 1-[1-[(2,5-dimethoxyphenyl)methyl]piperidin-1-ium-4-yl]-4-ethyl-piperazine-1,4-diium Openeye Name: 1-[1-[(2,5-dimethoxyphenyl)methyl]piperidin-1-ium-4-yl]-4-ethyl-piperazine-1,4-diium CAS Name: 1-[1-[(2,5-dimethoxyphenyl)methyl]-4-piperidin-1-iumyl]-4-ethylpiperazine-1,4-diium IUPAC Name: 1-[1-[(2,5-dimethoxyphenyl)methyl]piperidin-1-ium-4-yl]-4-ethylpiperazine-1,4-diium Traditional Name: 1-[1-(2,5-dimethoxybenzyl)piperidin-1-ium-4-yl]-4-ethyl-piperazine-1,4-diium Formula: C20H36N3O2+3 MolecularWeight: 350.51874

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CC[NH+](CC1)C2CC[NH+](CC2)CC3=C(C=CC(=C3)OC)OC

Isomeric SMILES

CC[NH+]1CC[NH+](CC1)C2CC[NH+](CC2)CC3=C(C=CC(=C3)OC)OC

InChI

InChI=1S/C20H33N3O2/c1-4-21-11-13-23(14-12-21)18-7-9-22(10-8-18)16-17-15-19(24-2)5-6-20(17)25-3/h5-6,15,18H,4,7-14,16H2,1-3H3/p+3