1-(4-methylpiperazine-1,4-diium-1-yl)propan-2-yl 4-tert-butylbenzoate

Systemtic Name: 1-(4-methylpiperazine-1,4-diium-1-yl)propan-2-yl 4-tert-butylbenzoate Openeye Name: [1-methyl-2-(4-methylpiperazine-1,4-diium-1-yl)ethyl] 4-tert-butylbenzoate CAS Name: 4-tert-butylbenzoic acid 1-(4-methyl-1-piperazine-1,4-diiumyl)propan-2-yl ester IUPAC Name: 1-(4-methylpiperazine-1,4-diium-1-yl)propan-2-yl 4-tert-butylbenzoate Traditional Name: 4-tert-butylbenzoic acid [1-methyl-2-(4-methylpiperazine-1,4-diium-1-yl)ethyl] ester Formula: C19H32N2O2+2 MolecularWeight: 320.46958

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H30N2O2/c1-15(14-21-12-10-20(5)11-13-21)23-18(22)16-6-8-17(9-7-16)19(2,3)4/h6-9,15H,10-14H2,1-5H3/p+2