2-[(1-cyanopyrrolidin-1-ium-1-yl)carbonylamino]-4-methyl-pentanoate

Systemtic Name: 2-[(1-cyanopyrrolidin-1-ium-1-yl)carbonylamino]-4-methyl-pentanoate Openeye Name: 2-[(1-cyanopyrrolidin-1-ium-1-carbonyl)amino]-4-methyl-pentanoate CAS Name: 2-[[(1-cyano-1-pyrrolidin-1-iumyl)-oxomethyl]amino]-4-methylpentanoate IUPAC Name: 2-[(1-cyanopyrrolidin-1-ium-1-carbonyl)amino]-4-methylpentanoate Traditional Name: 2-[(1-cyanopyrrolidin-1-ium-1-carbonyl)amino]-4-methyl-valerate Formula: C12H19N3O3 MolecularWeight: 253.29756

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)[O-])NC(=O)[N+]1(CCCC1)C#N

Isomeric SMILES

CC(C)CC(C(=O)[O-])NC(=O)[N+]1(CCCC1)C#N

InChI

InChI=1S/C12H19N3O3/c1-9(2)7-10(11(16)17)14-12(18)15(8-13)5-3-4-6-15/h9-10H,3-7H2,1-2H3,(H-,14,16,17,18)