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

Systemtic Name: [3-methoxy-4-[(2S)-1-oxidanylidene-1-piperidin-1-yl-propan-2-yl]oxy-phenyl]methylazanium Openeye Name: [3-methoxy-4-[(1S)-1-methyl-2-oxo-2-(1-piperidyl)ethoxy]phenyl]methylammonium CAS Name: [3-methoxy-4-[(2S)-1-oxo-1-(1-piperidinyl)propan-2-yl]oxyphenyl]methylammonium IUPAC Name: [3-methoxy-4-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]oxyphenyl]methylazanium Traditional Name: [4-[(1S)-2-keto-1-methyl-2-piperidino-ethoxy]-3-methoxy-benzyl]ammonium Formula: C16H25N2O3+ MolecularWeight: 293.3813

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCCC1)OC2=C(C=C(C=C2)C[NH3+])OC

Isomeric SMILES

C[C@@H](C(=O)N1CCCCC1)OC2=C(C=C(C=C2)C[NH3+])OC

InChI

InChI=1S/C16H24N2O3/c1-12(16(19)18-8-4-3-5-9-18)21-14-7-6-13(11-17)10-15(14)20-2/h6-7,10,12H,3-5,8-9,11,17H2,1-2H3/p+1/t12-/m0/s1