2-(azocan-1-ium-1-ylmethyl)-4-chloranyl-phenol

Systemtic Name: 2-(azocan-1-ium-1-ylmethyl)-4-chloranyl-phenol Openeye Name: 2-(azocan-1-ium-1-ylmethyl)-4-chloro-phenol CAS Name: 2-(1-azocan-1-iumylmethyl)-4-chlorophenol IUPAC Name: 2-(azocan-1-ium-1-ylmethyl)-4-chlorophenol Traditional Name: 2-(azocan-1-ium-1-ylmethyl)-4-chloro-phenol Formula: C14H21ClNO+ MolecularWeight: 254.77564

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CCC1)CC2=C(C=CC(=C2)Cl)O

Isomeric SMILES

C1CCC[NH+](CCC1)CC2=C(C=CC(=C2)Cl)O

InChI

InChI=1S/C14H20ClNO/c15-13-6-7-14(17)12(10-13)11-16-8-4-2-1-3-5-9-16/h6-7,10,17H,1-5,8-9,11H2/p+1