[3-chloranyl-5-methoxy-4-[2-oxidanylidene-2-(propan-2-ylamino)ethoxy]phenyl]methylazanium

Systemtic Name: [3-chloranyl-5-methoxy-4-[2-oxidanylidene-2-(propan-2-ylamino)ethoxy]phenyl]methylazanium Openeye Name: [3-chloro-4-[2-(isopropylamino)-2-oxo-ethoxy]-5-methoxy-phenyl]methylammonium CAS Name: [3-chloro-5-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]phenyl]methylammonium IUPAC Name: [3-chloro-5-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]phenyl]methylazanium Traditional Name: [3-chloro-4-[2-(isopropylamino)-2-keto-ethoxy]-5-methoxy-benzyl]ammonium Formula: C13H20ClN2O3+ MolecularWeight: 287.7625

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)COC1=C(C=C(C=C1Cl)C[NH3+])OC

Isomeric SMILES

CC(C)NC(=O)COC1=C(C=C(C=C1Cl)C[NH3+])OC

InChI

InChI=1S/C13H19ClN2O3/c1-8(2)16-12(17)7-19-13-10(14)4-9(6-15)5-11(13)18-3/h4-5,8H,6-7,15H2,1-3H3,(H,16,17)/p+1