methyl 4-[(1-morpholin-4-ium-4-ylcyclohexyl)methylcarbamothioyl]benzoate

Systemtic Name: methyl 4-[(1-morpholin-4-ium-4-ylcyclohexyl)methylcarbamothioyl]benzoate Openeye Name: methyl 4-[(1-morpholin-4-ium-4-ylcyclohexyl)methylcarbamothioyl]benzoate CAS Name: 4-[[[1-(4-morpholin-4-iumyl)cyclohexyl]methylamino]-sulfanylidenemethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(1-morpholin-4-ium-4-ylcyclohexyl)methylcarbamothioyl]benzoate Traditional Name: 4-[(1-morpholin-4-ium-4-ylcyclohexyl)methylthiocarbamoyl]benzoic acid methyl ester Formula: C20H29N2O3S+ MolecularWeight: 377.52086

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C(=S)NCC2(CCCCC2)[NH+]3CCOCC3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C(=S)NCC2(CCCCC2)[NH+]3CCOCC3

InChI

InChI=1S/C20H28N2O3S/c1-24-19(23)17-7-5-16(6-8-17)18(26)21-15-20(9-3-2-4-10-20)22-11-13-25-14-12-22/h5-8H,2-4,9-15H2,1H3,(H,21,26)/p+1