(3S)-3-[(3,5-dimethylphenoxy)methyl]piperidin-1-ium

Systemtic Name: (3S)-3-[(3,5-dimethylphenoxy)methyl]piperidin-1-ium Openeye Name: (3S)-3-[(3,5-dimethylphenoxy)methyl]piperidin-1-ium CAS Name: (3S)-3-[(3,5-dimethylphenoxy)methyl]piperidin-1-ium IUPAC Name: (3S)-3-[(3,5-dimethylphenoxy)methyl]piperidin-1-ium Traditional Name: (3S)-3-[(3,5-dimethylphenoxy)methyl]piperidin-1-ium Formula: C14H22NO+ MolecularWeight: 220.33058

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OCC2CCC[NH2+]C2)C

Isomeric SMILES

CC1=CC(=CC(=C1)OC[C@H]2CCC[NH2+]C2)C

InChI

InChI=1S/C14H21NO/c1-11-6-12(2)8-14(7-11)16-10-13-4-3-5-15-9-13/h6-8,13,15H,3-5,9-10H2,1-2H3/p+1/t13-/m0/s1