ethyl 2-[[4-[(3S)-3-(cyclopropylcarbamoyl)piperidin-1-ium-1-yl]piperidin-1-yl]carbonylamino]ethanoate

Systemtic Name: ethyl 2-[[4-[(3S)-3-(cyclopropylcarbamoyl)piperidin-1-ium-1-yl]piperidin-1-yl]carbonylamino]ethanoate Openeye Name: ethyl 2-[[4-[(3S)-3-(cyclopropylcarbamoyl)piperidin-1-ium-1-yl]piperidine-1-carbonyl]amino]acetate CAS Name: 2-[[[4-[(3S)-3-[(cyclopropylamino)-oxomethyl]-1-piperidin-1-iumyl]-1-piperidinyl]-oxomethyl]amino]acetic acid ethyl ester IUPAC Name: ethyl 2-[[4-[(3S)-3-(cyclopropylcarbamoyl)piperidin-1-ium-1-yl]piperidine-1-carbonyl]amino]acetate Traditional Name: 2-[[4-[(3S)-3-(cyclopropylcarbamoyl)piperidin-1-ium-1-yl]piperidine-1-carbonyl]amino]acetic acid ethyl ester Formula: C19H33N4O4+ MolecularWeight: 381.48972

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CNC(=O)N1CCC(CC1)[NH+]2CCCC(C2)C(=O)NC3CC3

Isomeric SMILES

CCOC(=O)CNC(=O)N1CCC(CC1)[NH+]2CCC[C@@H](C2)C(=O)NC3CC3

InChI

InChI=1S/C19H32N4O4/c1-2-27-17(24)12-20-19(26)22-10-7-16(8-11-22)23-9-3-4-14(13-23)18(25)21-15-5-6-15/h14-16H,2-13H2,1H3,(H,20,26)(H,21,25)/p+1/t14-/m0/s1