(2S)-3-methyl-2-[[3-[(1-methylpyrrolidin-1-ium-1-yl)methyl]phenyl]carbonylamino]butanoic acid

Systemtic Name: (2S)-3-methyl-2-[[3-[(1-methylpyrrolidin-1-ium-1-yl)methyl]phenyl]carbonylamino]butanoic acid Openeye Name: (2S)-3-methyl-2-[[3-[(1-methylpyrrolidin-1-ium-1-yl)methyl]benzoyl]amino]butanoic acid CAS Name: (2S)-3-methyl-2-[[[3-[(1-methyl-1-pyrrolidin-1-iumyl)methyl]phenyl]-oxomethyl]amino]butanoic acid IUPAC Name: (2S)-3-methyl-2-[[3-[(1-methylpyrrolidin-1-ium-1-yl)methyl]benzoyl]amino]butanoic acid Traditional Name: (2S)-3-methyl-2-[[3-[(1-methylpyrrolidin-1-ium-1-yl)methyl]benzoyl]amino]butyric acid Formula: C18H27N2O3+ MolecularWeight: 319.41858

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)NC(=O)C1=CC(=CC=C1)C[N+]2(CCCC2)C

Isomeric SMILES

CC(C)[C@@H](C(=O)O)NC(=O)C1=CC(=CC=C1)C[N+]2(CCCC2)C

InChI

InChI=1S/C18H26N2O3/c1-13(2)16(18(22)23)19-17(21)15-8-6-7-14(11-15)12-20(3)9-4-5-10-20/h6-8,11,13,16H,4-5,9-10,12H2,1-3H3,(H-,19,21,22,23)/p+1/t16-/m0/s1