1-(2-azanyl-4-methyl-pentanoyl)-1-(6-oxidanylidenepiperidin-2-yl)carbonyl-pyrrolidin-1-ium-2-carboxamide

Systemtic Name: 1-(2-azanyl-4-methyl-pentanoyl)-1-(6-oxidanylidenepiperidin-2-yl)carbonyl-pyrrolidin-1-ium-2-carboxamide Openeye Name: 1-(2-amino-4-methyl-pentanoyl)-1-(6-oxopiperidine-2-carbonyl)pyrrolidin-1-ium-2-carboxamide CAS Name: 1-(2-amino-4-methyl-1-oxopentyl)-1-[oxo-(6-oxo-2-piperidinyl)methyl]-2-pyrrolidin-1-iumcarboxamide IUPAC Name: 1-(2-amino-4-methylpentanoyl)-1-(6-oxopiperidine-2-carbonyl)pyrrolidin-1-ium-2-carboxamide Traditional Name: 1-(2-amino-4-methyl-pentanoyl)-1-(6-ketopipecoloyl)pyrrolidin-1-ium-2-carboxamide Formula: C17H29N4O4+ MolecularWeight: 353.43656

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)[N+]1(CCCC1C(=O)N)C(=O)C2CCCC(=O)N2)N

Isomeric SMILES

CC(C)CC(C(=O)[N+]1(CCCC1C(=O)N)C(=O)C2CCCC(=O)N2)N

InChI

InChI=1S/C17H28N4O4/c1-10(2)9-11(18)16(24)21(8-4-6-13(21)15(19)23)17(25)12-5-3-7-14(22)20-12/h10-13H,3-9,18H2,1-2H3,(H2-,19,20,22,23)/p+1