(2S)-3-methyl-2-[[4-[(1-methylpyrrolidin-1-ium-1-yl)methyl]phenyl]carbonylamino]butanoic acid

Systemtic Name: (2S)-3-methyl-2-[[4-[(1-methylpyrrolidin-1-ium-1-yl)methyl]phenyl]carbonylamino]butanoic acid Openeye Name: (2S)-3-methyl-2-[[4-[(1-methylpyrrolidin-1-ium-1-yl)methyl]benzoyl]amino]butanoic acid CAS Name: (2S)-3-methyl-2-[[[4-[(1-methyl-1-pyrrolidin-1-iumyl)methyl]phenyl]-oxomethyl]amino]butanoic acid IUPAC Name: (2S)-3-methyl-2-[[4-[(1-methylpyrrolidin-1-ium-1-yl)methyl]benzoyl]amino]butanoic acid Traditional Name: (2S)-3-methyl-2-[[4-[(1-methylpyrrolidin-1-ium-1-yl)methyl]benzoyl]amino]butyric acid Formula: C18H27N2O3+ MolecularWeight: 319.41858

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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