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

Systemtic Name: [3,5-dimethyl-4-[(2S)-1-oxidanylidene-1-(pentylamino)propan-2-yl]oxy-phenyl]methylazanium Openeye Name: [3,5-dimethyl-4-[(1S)-1-methyl-2-oxo-2-(pentylamino)ethoxy]phenyl]methylammonium CAS Name: [3,5-dimethyl-4-[(2S)-1-oxo-1-(pentylamino)propan-2-yl]oxyphenyl]methylammonium IUPAC Name: [3,5-dimethyl-4-[(2S)-1-oxo-1-(pentylamino)propan-2-yl]oxyphenyl]methylazanium Traditional Name: [4-[(1S)-2-(amylamino)-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:

CCCCCNC(=O)C(C)OC1=C(C=C(C=C1C)C[NH3+])C

Isomeric SMILES

CCCCCNC(=O)[C@H](C)OC1=C(C=C(C=C1C)C[NH3+])C

InChI

InChI=1S/C17H28N2O2/c1-5-6-7-8-19-17(20)14(4)21-16-12(2)9-15(11-18)10-13(16)3/h9-10,14H,5-8,11,18H2,1-4H3,(H,19,20)/p+1/t14-/m0/s1