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

Systemtic Name: [3-chloranyl-4-[2-(cyclopropylamino)-2-oxidanylidene-ethoxy]-5-methoxy-phenyl]methylazanium Openeye Name: [3-chloro-4-[2-(cyclopropylamino)-2-oxo-ethoxy]-5-methoxy-phenyl]methylammonium CAS Name: [3-chloro-4-[2-(cyclopropylamino)-2-oxoethoxy]-5-methoxyphenyl]methylammonium IUPAC Name: [3-chloro-4-[2-(cyclopropylamino)-2-oxoethoxy]-5-methoxyphenyl]methylazanium Traditional Name: [3-chloro-4-[2-(cyclopropylamino)-2-keto-ethoxy]-5-methoxy-benzyl]ammonium Formula: C13H18ClN2O3+ MolecularWeight: 285.74662

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C[NH3+])Cl)OCC(=O)NC2CC2

Isomeric SMILES

COC1=C(C(=CC(=C1)C[NH3+])Cl)OCC(=O)NC2CC2

InChI

InChI=1S/C13H17ClN2O3/c1-18-11-5-8(6-15)4-10(14)13(11)19-7-12(17)16-9-2-3-9/h4-5,9H,2-3,6-7,15H2,1H3,(H,16,17)/p+1