methanesulfonate; trimethyl-[2-[2-[4-(2-methylpropyl)phenyl]propanoylamino]-3-oxidanyl-3-oxidanylidene-propyl]azanium

Systemtic Name: methanesulfonate; trimethyl-[2-[2-[4-(2-methylpropyl)phenyl]propanoylamino]-3-oxidanyl-3-oxidanylidene-propyl]azanium Openeye Name: [3-hydroxy-2-[2-(4-isobutylphenyl)propanoylamino]-3-oxo-propyl]-trimethyl-ammonium; methanesulfonate CAS Name: [3-hydroxy-2-[[2-[4-(2-methylpropyl)phenyl]-1-oxopropyl]amino]-3-oxopropyl]-trimethylammonium; methanesulfonate IUPAC Name: [3-hydroxy-2-[2-[4-(2-methylpropyl)phenyl]propanoylamino]-3-oxopropyl]-trimethylazanium; methanesulfonate Traditional Name: [3-hydroxy-2-[2-(4-isobutylphenyl)propanoylamino]-3-keto-propyl]-trimethyl-ammonium mesylate Formula: C20H34N2O6S MolecularWeight: 430.55876

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC=C(C=C1)C(C)C(=O)NC(C[N+](C)(C)C)C(=O)O.CS(=O)(=O)[O-]

Isomeric SMILES

CC(C)CC1=CC=C(C=C1)C(C)C(=O)NC(C[N+](C)(C)C)C(=O)O.CS(=O)(=O)[O-]

InChI

InChI=1S/C19H30N2O3.CH4O3S/c1-13(2)11-15-7-9-16(10-8-15)14(3)18(22)20-17(19(23)24)12-21(4,5)6;1-5(2,3)4/h7-10,13-14,17H,11-12H2,1-6H3,(H-,20,22,23,24);1H3,(H,2,3,4)