1-methyl-4-[1-[(3,4,5-trimethoxyphenyl)methyl]piperidin-1-ium-4-yl]piperazine-1,4-diium

Systemtic Name: 1-methyl-4-[1-[(3,4,5-trimethoxyphenyl)methyl]piperidin-1-ium-4-yl]piperazine-1,4-diium Openeye Name: 1-methyl-4-[1-[(3,4,5-trimethoxyphenyl)methyl]piperidin-1-ium-4-yl]piperazine-1,4-diium CAS Name: 1-methyl-4-[1-[(3,4,5-trimethoxyphenyl)methyl]-4-piperidin-1-iumyl]piperazine-1,4-diium IUPAC Name: 1-methyl-4-[1-[(3,4,5-trimethoxyphenyl)methyl]piperidin-1-ium-4-yl]piperazine-1,4-diium Traditional Name: 1-methyl-4-[1-(3,4,5-trimethoxybenzyl)piperidin-1-ium-4-yl]piperazine-1,4-diium Formula: C20H36N3O3+3 MolecularWeight: 366.51814

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H33N3O3/c1-21-9-11-23(12-10-21)17-5-7-22(8-6-17)15-16-13-18(24-2)20(26-4)19(14-16)25-3/h13-14,17H,5-12,15H2,1-4H3/p+3