[(2S)-2-(butoxycarbonylamino)-3-methoxy-3-oxidanylidene-propyl]azanium; 4-methylbenzenesulfonate

Systemtic Name: [(2S)-2-(butoxycarbonylamino)-3-methoxy-3-oxidanylidene-propyl]azanium; 4-methylbenzenesulfonate Openeye Name: [(2S)-2-(butoxycarbonylamino)-3-methoxy-3-oxo-propyl]ammonium; 4-methylbenzenesulfonate CAS Name: [(2S)-2-[[butoxy(oxo)methyl]amino]-3-methoxy-3-oxopropyl]ammonium; 4-methylbenzenesulfonate IUPAC Name: [(2S)-2-(butoxycarbonylamino)-3-methoxy-3-oxopropyl]azanium; 4-methylbenzenesulfonate Traditional Name: [(2S)-2-(butoxycarbonylamino)-3-keto-3-methoxy-propyl]ammonium tosylate Formula: C16H26N2O7S MolecularWeight: 390.45184

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)NC(C[NH3+])C(=O)OC.CC1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CCCCOC(=O)N[C@@H](C[NH3+])C(=O)OC.CC1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C9H18N2O4.C7H8O3S/c1-3-4-5-15-9(13)11-7(6-10)8(12)14-2;1-6-2-4-7(5-3-6)11(8,9)10/h7H,3-6,10H2,1-2H3,(H,11,13);2-5H,1H3,(H,8,9,10)/t7-;/m0./s1