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

Systemtic Name: (2S)-4-methyl-2-[[2-methyl-2-[methyl-(1-methylpiperidin-1-ium-4-yl)amino]propanoyl]amino]pentanoate Openeye Name: (2S)-4-methyl-2-[[2-methyl-2-[methyl-(1-methylpiperidin-1-ium-4-yl)amino]propanoyl]amino]pentanoate CAS Name: (2S)-4-methyl-2-[[2-methyl-2-[methyl-(1-methyl-4-piperidin-1-iumyl)amino]-1-oxopropyl]amino]pentanoate IUPAC Name: (2S)-4-methyl-2-[[2-methyl-2-[methyl-(1-methylpiperidin-1-ium-4-yl)amino]propanoyl]amino]pentanoate Traditional Name: (2S)-4-methyl-2-[[2-methyl-2-[methyl-(1-methylpiperidin-1-ium-4-yl)amino]propanoyl]amino]valerate Formula: C17H33N3O3 MolecularWeight: 327.46222

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H33N3O3/c1-12(2)11-14(15(21)22)18-16(23)17(3,4)20(6)13-7-9-19(5)10-8-13/h12-14H,7-11H2,1-6H3,(H,18,23)(H,21,22)/t14-/m0/s1