4-(2-chloranyl-4,6-dimethyl-phenoxy)butyl-(phenylmethyl)azanium

Systemtic Name: 4-(2-chloranyl-4,6-dimethyl-phenoxy)butyl-(phenylmethyl)azanium Openeye Name: benzyl-[4-(2-chloro-4,6-dimethyl-phenoxy)butyl]ammonium CAS Name: 4-(2-chloro-4,6-dimethylphenoxy)butyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[4-(2-chloro-4,6-dimethylphenoxy)butyl]azanium Traditional Name: benzyl-[4-(2-chloro-4,6-dimethyl-phenoxy)butyl]ammonium Formula: C19H25ClNO+ MolecularWeight: 318.8609

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)Cl)OCCCC[NH2+]CC2=CC=CC=C2)C

Isomeric SMILES

CC1=CC(=C(C(=C1)Cl)OCCCC[NH2+]CC2=CC=CC=C2)C

InChI

InChI=1S/C19H24ClNO/c1-15-12-16(2)19(18(20)13-15)22-11-7-6-10-21-14-17-8-4-3-5-9-17/h3-5,8-9,12-13,21H,6-7,10-11,14H2,1-2H3/p+1