[3,5-dimethyl-4-[(2S)-1-oxidanylidene-1-(pentan-3-ylamino)propan-2-yl]oxy-phenyl]methylazanium

Systemtic Name: [3,5-dimethyl-4-[(2S)-1-oxidanylidene-1-(pentan-3-ylamino)propan-2-yl]oxy-phenyl]methylazanium Openeye Name: [4-[(1S)-2-(1-ethylpropylamino)-1-methyl-2-oxo-ethoxy]-3,5-dimethyl-phenyl]methylammonium CAS Name: [3,5-dimethyl-4-[(2S)-1-oxo-1-(pentan-3-ylamino)propan-2-yl]oxyphenyl]methylammonium IUPAC Name: [3,5-dimethyl-4-[(2S)-1-oxo-1-(pentan-3-ylamino)propan-2-yl]oxyphenyl]methylazanium Traditional Name: [4-[(1S)-2-(1-ethylpropylamino)-2-keto-1-methyl-ethoxy]-3,5-dimethyl-benzyl]ammonium Formula: C17H29N2O2+ MolecularWeight: 293.42436

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)NC(=O)C(C)OC1=C(C=C(C=C1C)C[NH3+])C

Isomeric SMILES

CCC(CC)NC(=O)[C@H](C)OC1=C(C=C(C=C1C)C[NH3+])C

InChI

InChI=1S/C17H28N2O2/c1-6-15(7-2)19-17(20)13(5)21-16-11(3)8-14(10-18)9-12(16)4/h8-9,13,15H,6-7,10,18H2,1-5H3,(H,19,20)/p+1/t13-/m0/s1