[(2S)-1-[2-[(4-methoxy-3-oxidanyl-phenyl)carbonylamino]ethoxy]-3-methyl-1-oxidanylidene-pentan-2-yl]azanium

Systemtic Name: [(2S)-1-[2-[(4-methoxy-3-oxidanyl-phenyl)carbonylamino]ethoxy]-3-methyl-1-oxidanylidene-pentan-2-yl]azanium Openeye Name: [(1S)-1-[2-[(3-hydroxy-4-methoxy-benzoyl)amino]ethoxycarbonyl]-2-methyl-butyl]ammonium CAS Name: [(2S)-1-[2-[[(3-hydroxy-4-methoxyphenyl)-oxomethyl]amino]ethoxy]-3-methyl-1-oxopentan-2-yl]ammonium IUPAC Name: [(2S)-1-[2-[(3-hydroxy-4-methoxybenzoyl)amino]ethoxy]-3-methyl-1-oxopentan-2-yl]azanium Traditional Name: [(1S)-1-[2-(isovanilloylamino)ethoxycarbonyl]-2-methyl-butyl]ammonium Formula: C16H25N2O5+ MolecularWeight: 325.3801

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)OCCNC(=O)C1=CC(=C(C=C1)OC)O)[NH3+]

Isomeric SMILES

CCC(C)[C@@H](C(=O)OCCNC(=O)C1=CC(=C(C=C1)OC)O)[NH3+]

InChI

InChI=1S/C16H24N2O5/c1-4-10(2)14(17)16(21)23-8-7-18-15(20)11-5-6-13(22-3)12(19)9-11/h5-6,9-10,14,19H,4,7-8,17H2,1-3H3,(H,18,20)/p+1/t10?,14-/m0/s1