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

Systemtic Name: [3-chloranyl-5-methoxy-4-[(2R)-1-oxidanylidene-1-(propan-2-ylamino)propan-2-yl]oxy-phenyl]methylazanium Openeye Name: [3-chloro-4-[(1R)-2-(isopropylamino)-1-methyl-2-oxo-ethoxy]-5-methoxy-phenyl]methylammonium CAS Name: [3-chloro-5-methoxy-4-[(2R)-1-oxo-1-(propan-2-ylamino)propan-2-yl]oxyphenyl]methylammonium IUPAC Name: [3-chloro-5-methoxy-4-[(2R)-1-oxo-1-(propan-2-ylamino)propan-2-yl]oxyphenyl]methylazanium Traditional Name: [3-chloro-4-[(1R)-2-(isopropylamino)-2-keto-1-methyl-ethoxy]-5-methoxy-benzyl]ammonium Formula: C14H22ClN2O3+ MolecularWeight: 301.78908

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H21ClN2O3/c1-8(2)17-14(18)9(3)20-13-11(15)5-10(7-16)6-12(13)19-4/h5-6,8-9H,7,16H2,1-4H3,(H,17,18)/p+1/t9-/m1/s1