ethyl 2-[(1-piperidin-1-ium-1-ylcyclohexyl)methylcarbamoylamino]ethanoate

Systemtic Name: ethyl 2-[(1-piperidin-1-ium-1-ylcyclohexyl)methylcarbamoylamino]ethanoate Openeye Name: ethyl 2-[(1-piperidin-1-ium-1-ylcyclohexyl)methylcarbamoylamino]acetate CAS Name: 2-[[oxo-[[1-(1-piperidin-1-iumyl)cyclohexyl]methylamino]methyl]amino]acetic acid ethyl ester IUPAC Name: ethyl 2-[(1-piperidin-1-ium-1-ylcyclohexyl)methylcarbamoylamino]acetate Traditional Name: 2-[(1-piperidin-1-ium-1-ylcyclohexyl)methylcarbamoylamino]acetic acid ethyl ester Formula: C17H32N3O3+ MolecularWeight: 326.45428

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CNC(=O)NCC1(CCCCC1)[NH+]2CCCCC2

Isomeric SMILES

CCOC(=O)CNC(=O)NCC1(CCCCC1)[NH+]2CCCCC2

InChI

InChI=1S/C17H31N3O3/c1-2-23-15(21)13-18-16(22)19-14-17(9-5-3-6-10-17)20-11-7-4-8-12-20/h2-14H2,1H3,(H2,18,19,22)/p+1