1-[2-[2-chloranyl-4-(2-methylbutan-2-yl)phenoxy]ethyl]piperazin-4-ium

Systemtic Name: 1-[2-[2-chloranyl-4-(2-methylbutan-2-yl)phenoxy]ethyl]piperazin-4-ium Openeye Name: 1-[2-[2-chloro-4-(1,1-dimethylpropyl)phenoxy]ethyl]piperazin-4-ium CAS Name: 1-[2-[2-chloro-4-(2-methylbutan-2-yl)phenoxy]ethyl]piperazin-4-ium IUPAC Name: 1-[2-[2-chloro-4-(2-methylbutan-2-yl)phenoxy]ethyl]piperazin-4-ium Traditional Name: 1-[2-(4-tert-amyl-2-chloro-phenoxy)ethyl]piperazin-4-ium Formula: C17H28ClN2O+ MolecularWeight: 311.87002

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1=CC(=C(C=C1)OCCN2CC[NH2+]CC2)Cl

Isomeric SMILES

CCC(C)(C)C1=CC(=C(C=C1)OCCN2CC[NH2+]CC2)Cl

InChI

InChI=1S/C17H27ClN2O/c1-4-17(2,3)14-5-6-16(15(18)13-14)21-12-11-20-9-7-19-8-10-20/h5-6,13,19H,4,7-12H2,1-3H3/p+1