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

Systemtic Name: 1-[2-(3-methylbutylamino)-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate Openeye Name: 1-[2-(isopentylamino)-2-oxo-ethyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[2-(3-methylbutylamino)-2-oxoethyl]-4-piperidin-1-iumcarboxylate IUPAC Name: 1-[2-(3-methylbutylamino)-2-oxoethyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[2-(isoamylamino)-2-keto-ethyl]piperidin-1-ium-4-carboxylate Formula: C13H24N2O3 MolecularWeight: 256.34126

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H24N2O3/c1-10(2)3-6-14-12(16)9-15-7-4-11(5-8-15)13(17)18/h10-11H,3-9H2,1-2H3,(H,14,16)(H,17,18)