1-[4-(2-chloranyl-3,6-dimethyl-phenoxy)butyl]-4-methyl-piperazin-1-ium

Systemtic Name: 1-[4-(2-chloranyl-3,6-dimethyl-phenoxy)butyl]-4-methyl-piperazin-1-ium Openeye Name: 1-[4-(2-chloro-3,6-dimethyl-phenoxy)butyl]-4-methyl-piperazin-1-ium CAS Name: 1-[4-(2-chloro-3,6-dimethylphenoxy)butyl]-4-methylpiperazin-1-ium IUPAC Name: 1-[4-(2-chloro-3,6-dimethylphenoxy)butyl]-4-methylpiperazin-1-ium Traditional Name: 1-[4-(2-chloro-3,6-dimethyl-phenoxy)butyl]-4-methyl-piperazin-1-ium Formula: C17H28ClN2O+ MolecularWeight: 311.87002

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)C)Cl)OCCCC[NH+]2CCN(CC2)C

Isomeric SMILES

CC1=C(C(=C(C=C1)C)Cl)OCCCC[NH+]2CCN(CC2)C

InChI

InChI=1S/C17H27ClN2O/c1-14-6-7-15(2)17(16(14)18)21-13-5-4-8-20-11-9-19(3)10-12-20/h6-7H,4-5,8-13H2,1-3H3/p+1