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

Systemtic Name: [4-[(2S)-1-(butylamino)-1-oxidanylidene-propan-2-yl]oxy-3-chloranyl-5-methoxy-phenyl]methylazanium Openeye Name: [4-[(1S)-2-(butylamino)-1-methyl-2-oxo-ethoxy]-3-chloro-5-methoxy-phenyl]methylammonium CAS Name: [4-[(2S)-1-(butylamino)-1-oxopropan-2-yl]oxy-3-chloro-5-methoxyphenyl]methylammonium IUPAC Name: [4-[(2S)-1-(butylamino)-1-oxopropan-2-yl]oxy-3-chloro-5-methoxyphenyl]methylazanium Traditional Name: [4-[(1S)-2-(butylamino)-2-keto-1-methyl-ethoxy]-3-chloro-5-methoxy-benzyl]ammonium Formula: C15H24ClN2O3+ MolecularWeight: 315.81566

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H23ClN2O3/c1-4-5-6-18-15(19)10(2)21-14-12(16)7-11(9-17)8-13(14)20-3/h7-8,10H,4-6,9,17H2,1-3H3,(H,18,19)/p+1/t10-/m0/s1