2-[4-[methyl-(1-methylpiperidin-1-ium-4-yl)amino]butanoylamino]ethanoate

Systemtic Name: 2-[4-[methyl-(1-methylpiperidin-1-ium-4-yl)amino]butanoylamino]ethanoate Openeye Name: 2-[4-[methyl-(1-methylpiperidin-1-ium-4-yl)amino]butanoylamino]acetate CAS Name: 2-[[4-[methyl-(1-methyl-4-piperidin-1-iumyl)amino]-1-oxobutyl]amino]acetate IUPAC Name: 2-[4-[methyl-(1-methylpiperidin-1-ium-4-yl)amino]butanoylamino]acetate Traditional Name: 2-[4-[methyl-(1-methylpiperidin-1-ium-4-yl)amino]butanoylamino]acetate Formula: C13H25N3O3 MolecularWeight: 271.3559

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)N(C)CCCC(=O)NCC(=O)[O-]

Isomeric SMILES

C[NH+]1CCC(CC1)N(C)CCCC(=O)NCC(=O)[O-]

InChI

InChI=1S/C13H25N3O3/c1-15-8-5-11(6-9-15)16(2)7-3-4-12(17)14-10-13(18)19/h11H,3-10H2,1-2H3,(H,14,17)(H,18,19)