ethyl 1-[2-(3-methylbutylcarbamoylamino)-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-[2-(3-methylbutylcarbamoylamino)-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[2-(isopentylcarbamoylamino)-2-oxo-ethyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[2-[[(3-methylbutylamino)-oxomethyl]amino]-2-oxoethyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-(3-methylbutylcarbamoylamino)-2-oxoethyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[2-(isoamylcarbamoylamino)-2-keto-ethyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C16H30N3O4+ MolecularWeight: 328.4271

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC[NH+](CC1)CC(=O)NC(=O)NCCC(C)C

Isomeric SMILES

CCOC(=O)C1CC[NH+](CC1)CC(=O)NC(=O)NCCC(C)C

InChI

InChI=1S/C16H29N3O4/c1-4-23-15(21)13-6-9-19(10-7-13)11-14(20)18-16(22)17-8-5-12(2)3/h12-13H,4-11H2,1-3H3,(H2,17,18,20,22)/p+1