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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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