(2S)-3-methyl-2-[[2-methyl-2-[methyl-(1-methylpiperidin-1-ium-4-yl)amino]propanoyl]amino]butanoate

Systemtic Name: (2S)-3-methyl-2-[[2-methyl-2-[methyl-(1-methylpiperidin-1-ium-4-yl)amino]propanoyl]amino]butanoate Openeye Name: (2S)-3-methyl-2-[[2-methyl-2-[methyl-(1-methylpiperidin-1-ium-4-yl)amino]propanoyl]amino]butanoate CAS Name: (2S)-3-methyl-2-[[2-methyl-2-[methyl-(1-methyl-4-piperidin-1-iumyl)amino]-1-oxopropyl]amino]butanoate IUPAC Name: (2S)-3-methyl-2-[[2-methyl-2-[methyl-(1-methylpiperidin-1-ium-4-yl)amino]propanoyl]amino]butanoate Traditional Name: (2S)-3-methyl-2-[[2-methyl-2-[methyl-(1-methylpiperidin-1-ium-4-yl)amino]propanoyl]amino]butyrate Formula: C16H31N3O3 MolecularWeight: 313.43564

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H31N3O3/c1-11(2)13(14(20)21)17-15(22)16(3,4)19(6)12-7-9-18(5)10-8-12/h11-13H,7-10H2,1-6H3,(H,17,22)(H,20,21)/t13-/m0/s1