tert-butyl 2-[4-[(4,5-dimethoxy-2-methyl-phenyl)methyl]piperazine-1,4-diium-1-yl]ethanoate

Systemtic Name: tert-butyl 2-[4-[(4,5-dimethoxy-2-methyl-phenyl)methyl]piperazine-1,4-diium-1-yl]ethanoate Openeye Name: tert-butyl 2-[4-[(4,5-dimethoxy-2-methyl-phenyl)methyl]piperazine-1,4-diium-1-yl]acetate CAS Name: 2-[4-[(4,5-dimethoxy-2-methylphenyl)methyl]-1-piperazine-1,4-diiumyl]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[4-[(4,5-dimethoxy-2-methylphenyl)methyl]piperazine-1,4-diium-1-yl]acetate Traditional Name: 2-[4-(4,5-dimethoxy-2-methyl-benzyl)piperazine-1,4-diium-1-yl]acetic acid tert-butyl ester Formula: C20H34N2O4+2 MolecularWeight: 366.49496

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C[NH+]2CC[NH+](CC2)CC(=O)OC(C)(C)C)OC)OC

Isomeric SMILES

CC1=CC(=C(C=C1C[NH+]2CC[NH+](CC2)CC(=O)OC(C)(C)C)OC)OC

InChI

InChI=1S/C20H32N2O4/c1-15-11-17(24-5)18(25-6)12-16(15)13-21-7-9-22(10-8-21)14-19(23)26-20(2,3)4/h11-12H,7-10,13-14H2,1-6H3/p+2