ethyl 4-[4-cyclohexyl-4-(7-methoxyheptoxy)piperazin-4-ium-1-yl]benzoate

Systemtic Name: ethyl 4-[4-cyclohexyl-4-(7-methoxyheptoxy)piperazin-4-ium-1-yl]benzoate Openeye Name: ethyl 4-[4-cyclohexyl-4-(7-methoxyheptoxy)piperazin-4-ium-1-yl]benzoate CAS Name: 4-[4-cyclohexyl-4-(7-methoxyheptoxy)-1-piperazin-4-iumyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[4-cyclohexyl-4-(7-methoxyheptoxy)piperazin-4-ium-1-yl]benzoate Traditional Name: 4-[4-cyclohexyl-4-(7-methoxyheptoxy)piperazin-4-ium-1-yl]benzoic acid ethyl ester Formula: C27H45N2O4+ MolecularWeight: 461.6572

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)N2CC[N+](CC2)(C3CCCCC3)OCCCCCCCOC

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N2CC[N+](CC2)(C3CCCCC3)OCCCCCCCOC

InChI

InChI=1S/C27H45N2O4/c1-3-32-27(30)24-14-16-25(17-15-24)28-18-20-29(21-19-28,26-12-8-7-9-13-26)33-23-11-6-4-5-10-22-31-2/h14-17,26H,3-13,18-23H2,1-2H3/q+1