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

Systemtic Name: [3,5-dimethyl-4-[(2S)-1-oxidanylidene-1-piperidin-1-yl-propan-2-yl]oxy-phenyl]methylazanium Openeye Name: [3,5-dimethyl-4-[(1S)-1-methyl-2-oxo-2-(1-piperidyl)ethoxy]phenyl]methylammonium CAS Name: [3,5-dimethyl-4-[(2S)-1-oxo-1-(1-piperidinyl)propan-2-yl]oxyphenyl]methylammonium IUPAC Name: [3,5-dimethyl-4-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]oxyphenyl]methylazanium Traditional Name: [4-[(1S)-2-keto-1-methyl-2-piperidino-ethoxy]-3,5-dimethyl-benzyl]ammonium Formula: C17H27N2O2+ MolecularWeight: 291.40848

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OC(C)C(=O)N2CCCCC2)C)C[NH3+]

Isomeric SMILES

CC1=CC(=CC(=C1O[C@@H](C)C(=O)N2CCCCC2)C)C[NH3+]

InChI

InChI=1S/C17H26N2O2/c1-12-9-15(11-18)10-13(2)16(12)21-14(3)17(20)19-7-5-4-6-8-19/h9-10,14H,4-8,11,18H2,1-3H3/p+1/t14-/m0/s1