2-(1,4-dimethyl-4-propyl-piperazine-1,4-diium-1-yl)ethyl 2-(5-methyl-2-propan-2-yl-phenoxy)ethanoate

Systemtic Name: 2-(1,4-dimethyl-4-propyl-piperazine-1,4-diium-1-yl)ethyl 2-(5-methyl-2-propan-2-yl-phenoxy)ethanoate Openeye Name: 2-(1,4-dimethyl-4-propyl-piperazine-1,4-diium-1-yl)ethyl 2-(2-isopropyl-5-methyl-phenoxy)acetate CAS Name: 2-(5-methyl-2-propan-2-ylphenoxy)acetic acid 2-(1,4-dimethyl-4-propyl-1-piperazine-1,4-diiumyl)ethyl ester IUPAC Name: 2-(1,4-dimethyl-4-propylpiperazine-1,4-diium-1-yl)ethyl 2-(5-methyl-2-propan-2-ylphenoxy)acetate Traditional Name: 2-(2-isopropyl-5-methyl-phenoxy)acetic acid 2-(1,4-dimethyl-4-propyl-piperazine-1,4-diium-1-yl)ethyl ester Formula: C23H40N2O3+2 MolecularWeight: 392.5753

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Descriptors Computed from Structure

Canonical SMILES:

CCC[N+]1(CC[N+](CC1)(C)CCOC(=O)COC2=C(C=CC(=C2)C)C(C)C)C

Isomeric SMILES

CCC[N+]1(CC[N+](CC1)(C)CCOC(=O)COC2=C(C=CC(=C2)C)C(C)C)C

InChI

InChI=1S/C23H40N2O3/c1-7-10-24(5)11-13-25(6,14-12-24)15-16-27-23(26)18-28-22-17-20(4)8-9-21(22)19(2)3/h8-9,17,19H,7,10-16,18H2,1-6H3/q+2