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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H21ClN2O3/c1-4-5-17-14(18)9(2)20-13-11(15)6-10(8-16)7-12(13)19-3/h6-7,9H,4-5,8,16H2,1-3H3,(H,17,18)/p+1/t9-/m0/s1