(3S)-3-[(4-chloranyl-3,5-dimethyl-phenoxy)methyl]piperidin-1-ium

Systemtic Name: (3S)-3-[(4-chloranyl-3,5-dimethyl-phenoxy)methyl]piperidin-1-ium Openeye Name: (3S)-3-[(4-chloro-3,5-dimethyl-phenoxy)methyl]piperidin-1-ium CAS Name: (3S)-3-[(4-chloro-3,5-dimethylphenoxy)methyl]piperidin-1-ium IUPAC Name: (3S)-3-[(4-chloro-3,5-dimethylphenoxy)methyl]piperidin-1-ium Traditional Name: (3S)-3-[(4-chloro-3,5-dimethyl-phenoxy)methyl]piperidin-1-ium Formula: C14H21ClNO+ MolecularWeight: 254.77564

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1Cl)C)OCC2CCC[NH2+]C2

Isomeric SMILES

CC1=CC(=CC(=C1Cl)C)OC[C@H]2CCC[NH2+]C2

InChI

InChI=1S/C14H20ClNO/c1-10-6-13(7-11(2)14(10)15)17-9-12-4-3-5-16-8-12/h6-7,12,16H,3-5,8-9H2,1-2H3/p+1/t12-/m0/s1