1-[2-[bis[(2R)-butan-2-yl]amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[2-[bis[(2R)-butan-2-yl]amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[2-[bis[(1R)-1-methylpropyl]amino]-2-oxo-ethyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[2-[bis[(2R)-butan-2-yl]amino]-2-oxoethyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[2-[bis[(2R)-butan-2-yl]amino]-2-oxoethyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-[2-[bis[(1R)-1-methylpropyl]amino]-2-keto-ethyl]piperidin-1-ium-4-carboxamide Formula: C16H32N3O2+ MolecularWeight: 298.44418

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N(C(C)CC)C(=O)C[NH+]1CCC(CC1)C(=O)N

Isomeric SMILES

CC[C@@H](C)N([C@H](C)CC)C(=O)C[NH+]1CCC(CC1)C(=O)N

InChI

InChI=1S/C16H31N3O2/c1-5-12(3)19(13(4)6-2)15(20)11-18-9-7-14(8-10-18)16(17)21/h12-14H,5-11H2,1-4H3,(H2,17,21)/p+1/t12-,13-/m1/s1