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

Systemtic Name: [3,5-dimethyl-4-[(2S)-1-oxidanylidene-1-pyrrolidin-1-yl-propan-2-yl]oxy-phenyl]methylazanium Openeye Name: [3,5-dimethyl-4-[(1S)-1-methyl-2-oxo-2-pyrrolidin-1-yl-ethoxy]phenyl]methylammonium CAS Name: [3,5-dimethyl-4-[(2S)-1-oxo-1-(1-pyrrolidinyl)propan-2-yl]oxyphenyl]methylammonium IUPAC Name: [3,5-dimethyl-4-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]oxyphenyl]methylazanium Traditional Name: [4-[(1S)-2-keto-1-methyl-2-pyrrolidino-ethoxy]-3,5-dimethyl-benzyl]ammonium Formula: C16H25N2O2+ MolecularWeight: 277.3819

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OC(C)C(=O)N2CCCC2)C)C[NH3+]

Isomeric SMILES

CC1=CC(=CC(=C1O[C@@H](C)C(=O)N2CCCC2)C)C[NH3+]

InChI

InChI=1S/C16H24N2O2/c1-11-8-14(10-17)9-12(2)15(11)20-13(3)16(19)18-6-4-5-7-18/h8-9,13H,4-7,10,17H2,1-3H3/p+1/t13-/m0/s1