[3-chloranyl-5-methoxy-4-[(2S)-1-(2-methoxyethylamino)-1-oxidanylidene-propan-2-yl]oxy-phenyl]methylazanium

Systemtic Name: [3-chloranyl-5-methoxy-4-[(2S)-1-(2-methoxyethylamino)-1-oxidanylidene-propan-2-yl]oxy-phenyl]methylazanium Openeye Name: [3-chloro-5-methoxy-4-[(1S)-2-(2-methoxyethylamino)-1-methyl-2-oxo-ethoxy]phenyl]methylammonium CAS Name: [3-chloro-5-methoxy-4-[(2S)-1-(2-methoxyethylamino)-1-oxopropan-2-yl]oxyphenyl]methylammonium IUPAC Name: [3-chloro-5-methoxy-4-[(2S)-1-(2-methoxyethylamino)-1-oxopropan-2-yl]oxyphenyl]methylazanium Traditional Name: [3-chloro-4-[(1S)-2-keto-2-(2-methoxyethylamino)-1-methyl-ethoxy]-5-methoxy-benzyl]ammonium Formula: C14H22ClN2O4+ MolecularWeight: 317.78848

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCCOC)OC1=C(C=C(C=C1Cl)C[NH3+])OC

Isomeric SMILES

C[C@@H](C(=O)NCCOC)OC1=C(C=C(C=C1Cl)C[NH3+])OC

InChI

InChI=1S/C14H21ClN2O4/c1-9(14(18)17-4-5-19-2)21-13-11(15)6-10(8-16)7-12(13)20-3/h6-7,9H,4-5,8,16H2,1-3H3,(H,17,18)/p+1/t9-/m0/s1