ethyl 4-[5-(1-morpholin-4-ium-4-ylcyclohexyl)-1,2,3,4-tetrazol-1-yl]benzoate

Systemtic Name: ethyl 4-[5-(1-morpholin-4-ium-4-ylcyclohexyl)-1,2,3,4-tetrazol-1-yl]benzoate Openeye Name: ethyl 4-[5-(1-morpholin-4-ium-4-ylcyclohexyl)tetrazol-1-yl]benzoate CAS Name: 4-[5-[1-(4-morpholin-4-iumyl)cyclohexyl]-1-tetrazolyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[5-(1-morpholin-4-ium-4-ylcyclohexyl)tetrazol-1-yl]benzoate Traditional Name: 4-[5-(1-morpholin-4-ium-4-ylcyclohexyl)tetrazol-1-yl]benzoic acid ethyl ester Formula: C20H28N5O3+ MolecularWeight: 386.46802

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)N2C(=NN=N2)C3(CCCCC3)[NH+]4CCOCC4

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N2C(=NN=N2)C3(CCCCC3)[NH+]4CCOCC4

InChI

InChI=1S/C20H27N5O3/c1-2-28-18(26)16-6-8-17(9-7-16)25-19(21-22-23-25)20(10-4-3-5-11-20)24-12-14-27-15-13-24/h6-9H,2-5,10-15H2,1H3/p+1