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

Systemtic Name: (3S)-3-[4-chloranyl-2-(phenylmethyl)phenoxy]pyrrolidin-1-ium Openeye Name: (3S)-3-(2-benzyl-4-chloro-phenoxy)pyrrolidin-1-ium CAS Name: (3S)-3-[4-chloro-2-(phenylmethyl)phenoxy]pyrrolidin-1-ium IUPAC Name: (3S)-3-(2-benzyl-4-chlorophenoxy)pyrrolidin-1-ium Traditional Name: (3S)-3-(2-benzyl-4-chloro-phenoxy)pyrrolidin-1-ium Formula: C17H19ClNO+ MolecularWeight: 288.79186

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH2+]CC1OC2=C(C=C(C=C2)Cl)CC3=CC=CC=C3

Isomeric SMILES

C1C[NH2+]C[C@H]1OC2=C(C=C(C=C2)Cl)CC3=CC=CC=C3

InChI

InChI=1S/C17H18ClNO/c18-15-6-7-17(20-16-8-9-19-12-16)14(11-15)10-13-4-2-1-3-5-13/h1-7,11,16,19H,8-10,12H2/p+1/t16-/m0/s1