ethyl 3-[[(3S)-1-cycloheptylpiperidin-1-ium-3-yl]carbamoylamino]propanoate

Systemtic Name: ethyl 3-[[(3S)-1-cycloheptylpiperidin-1-ium-3-yl]carbamoylamino]propanoate Openeye Name: ethyl 3-[[(3S)-1-cycloheptylpiperidin-1-ium-3-yl]carbamoylamino]propanoate CAS Name: 3-[[[[(3S)-1-cycloheptyl-3-piperidin-1-iumyl]amino]-oxomethyl]amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[[(3S)-1-cycloheptylpiperidin-1-ium-3-yl]carbamoylamino]propanoate Traditional Name: 3-[[(3S)-1-cycloheptylpiperidin-1-ium-3-yl]carbamoylamino]propionic acid ethyl ester Formula: C18H34N3O3+ MolecularWeight: 340.48086

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCNC(=O)NC1CCC[NH+](C1)C2CCCCCC2

Isomeric SMILES

CCOC(=O)CCNC(=O)N[C@H]1CCC[NH+](C1)C2CCCCCC2

InChI

InChI=1S/C18H33N3O3/c1-2-24-17(22)11-12-19-18(23)20-15-8-7-13-21(14-15)16-9-5-3-4-6-10-16/h15-16H,2-14H2,1H3,(H2,19,20,23)/p+1/t15-/m0/s1