[1-(4-ethoxycarbonylhexyl)piperazin-1-ium-1-yl]methyl 2-(2,3-dimethoxyphenoxy)heptanoate

Systemtic Name: [1-(4-ethoxycarbonylhexyl)piperazin-1-ium-1-yl]methyl 2-(2,3-dimethoxyphenoxy)heptanoate Openeye Name: [1-(4-ethoxycarbonylhexyl)piperazin-1-ium-1-yl]methyl 2-(2,3-dimethoxyphenoxy)heptanoate CAS Name: 2-(2,3-dimethoxyphenoxy)heptanoic acid [1-(4-ethoxycarbonylhexyl)-1-piperazin-1-iumyl]methyl ester IUPAC Name: [1-(4-ethoxycarbonylhexyl)piperazin-1-ium-1-yl]methyl 2-(2,3-dimethoxyphenoxy)heptanoate Traditional Name: 2-(2,3-dimethoxyphenoxy)enanthic acid [1-(4-carbethoxyhexyl)piperazin-1-ium-1-yl]methyl ester Formula: C29H49N2O7+ MolecularWeight: 537.70856

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C(=O)OC[N+]1(CCNCC1)CCCC(CC)C(=O)OCC)OC2=CC=CC(=C2OC)OC

Isomeric SMILES

CCCCCC(C(=O)OC[N+]1(CCNCC1)CCCC(CC)C(=O)OCC)OC2=CC=CC(=C2OC)OC

InChI

InChI=1S/C29H49N2O7/c1-6-9-10-14-26(38-25-16-11-15-24(34-4)27(25)35-5)29(33)37-22-31(20-17-30-18-21-31)19-12-13-23(7-2)28(32)36-8-3/h11,15-16,23,26,30H,6-10,12-14,17-22H2,1-5H3/q+1