tert-butyl 2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazine-1,4-diium-1-yl]ethanoate

Systemtic Name: tert-butyl 2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazine-1,4-diium-1-yl]ethanoate Openeye Name: tert-butyl 2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazine-1,4-diium-1-yl]acetate CAS Name: 2-[4-[(2,3,4-trimethoxyphenyl)methyl]-1-piperazine-1,4-diiumyl]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazine-1,4-diium-1-yl]acetate Traditional Name: 2-[4-(2,3,4-trimethoxybenzyl)piperazine-1,4-diium-1-yl]acetic acid tert-butyl ester Formula: C20H34N2O5+2 MolecularWeight: 382.49436

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C[NH+]1CC[NH+](CC1)CC2=C(C(=C(C=C2)OC)OC)OC

Isomeric SMILES

CC(C)(C)OC(=O)C[NH+]1CC[NH+](CC1)CC2=C(C(=C(C=C2)OC)OC)OC

InChI

InChI=1S/C20H32N2O5/c1-20(2,3)27-17(23)14-22-11-9-21(10-12-22)13-15-7-8-16(24-4)19(26-6)18(15)25-5/h7-8H,9-14H2,1-6H3/p+2