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

Systemtic Name: (2S)-2-[4-[methyl-(1-methylpiperidin-1-ium-4-yl)amino]butanoylamino]propanoate Openeye Name: (2S)-2-[4-[methyl-(1-methylpiperidin-1-ium-4-yl)amino]butanoylamino]propanoate CAS Name: (2S)-2-[[4-[methyl-(1-methyl-4-piperidin-1-iumyl)amino]-1-oxobutyl]amino]propanoate IUPAC Name: (2S)-2-[4-[methyl-(1-methylpiperidin-1-ium-4-yl)amino]butanoylamino]propanoate Traditional Name: (2S)-2-[4-[methyl-(1-methylpiperidin-1-ium-4-yl)amino]butanoylamino]propionate Formula: C14H27N3O3 MolecularWeight: 285.38248

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)[O-])NC(=O)CCCN(C)C1CC[NH+](CC1)C

Isomeric SMILES

C[C@@H](C(=O)[O-])NC(=O)CCCN(C)C1CC[NH+](CC1)C

InChI

InChI=1S/C14H27N3O3/c1-11(14(19)20)15-13(18)5-4-8-17(3)12-6-9-16(2)10-7-12/h11-12H,4-10H2,1-3H3,(H,15,18)(H,19,20)/t11-/m0/s1