(3S)-3-[[4-chloranyl-2-(phenylmethyl)phenoxy]methyl]piperidin-1-ium

Systemtic Name: (3S)-3-[[4-chloranyl-2-(phenylmethyl)phenoxy]methyl]piperidin-1-ium Openeye Name: (3S)-3-[(2-benzyl-4-chloro-phenoxy)methyl]piperidin-1-ium CAS Name: (3S)-3-[[4-chloro-2-(phenylmethyl)phenoxy]methyl]piperidin-1-ium IUPAC Name: (3S)-3-[(2-benzyl-4-chlorophenoxy)methyl]piperidin-1-ium Traditional Name: (3S)-3-[(2-benzyl-4-chloro-phenoxy)methyl]piperidin-1-ium Formula: C19H23ClNO+ MolecularWeight: 316.84502

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH2+]C1)COC2=C(C=C(C=C2)Cl)CC3=CC=CC=C3

Isomeric SMILES

C1C[C@@H](C[NH2+]C1)COC2=C(C=C(C=C2)Cl)CC3=CC=CC=C3

InChI

InChI=1S/C19H22ClNO/c20-18-8-9-19(22-14-16-7-4-10-21-13-16)17(12-18)11-15-5-2-1-3-6-15/h1-3,5-6,8-9,12,16,21H,4,7,10-11,13-14H2/p+1/t16-/m0/s1