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

Systemtic Name: [3-methoxy-4-[(2S)-1-oxidanylidene-1-(propylamino)propan-2-yl]oxy-phenyl]methylazanium Openeye Name: [3-methoxy-4-[(1S)-1-methyl-2-oxo-2-(propylamino)ethoxy]phenyl]methylammonium CAS Name: [3-methoxy-4-[(2S)-1-oxo-1-(propylamino)propan-2-yl]oxyphenyl]methylammonium IUPAC Name: [3-methoxy-4-[(2S)-1-oxo-1-(propylamino)propan-2-yl]oxyphenyl]methylazanium Traditional Name: [4-[(1S)-2-keto-1-methyl-2-(propylamino)ethoxy]-3-methoxy-benzyl]ammonium Formula: C14H23N2O3+ MolecularWeight: 267.34402

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C(C)OC1=C(C=C(C=C1)C[NH3+])OC

Isomeric SMILES

CCCNC(=O)[C@H](C)OC1=C(C=C(C=C1)C[NH3+])OC

InChI

InChI=1S/C14H22N2O3/c1-4-7-16-14(17)10(2)19-12-6-5-11(9-15)8-13(12)18-3/h5-6,8,10H,4,7,9,15H2,1-3H3,(H,16,17)/p+1/t10-/m0/s1