1-[4-(2-chloranyl-4,6-dimethyl-phenoxy)butyl]piperazine-1,4-diium

Systemtic Name: 1-[4-(2-chloranyl-4,6-dimethyl-phenoxy)butyl]piperazine-1,4-diium Openeye Name: 1-[4-(2-chloro-4,6-dimethyl-phenoxy)butyl]piperazine-1,4-diium CAS Name: 1-[4-(2-chloro-4,6-dimethylphenoxy)butyl]piperazine-1,4-diium IUPAC Name: 1-[4-(2-chloro-4,6-dimethylphenoxy)butyl]piperazine-1,4-diium Traditional Name: 1-[4-(2-chloro-4,6-dimethyl-phenoxy)butyl]piperazine-1,4-diium Formula: C16H27ClN2O+2 MolecularWeight: 298.85138

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)Cl)OCCCC[NH+]2CC[NH2+]CC2)C

Isomeric SMILES

CC1=CC(=C(C(=C1)Cl)OCCCC[NH+]2CC[NH2+]CC2)C

InChI

InChI=1S/C16H25ClN2O/c1-13-11-14(2)16(15(17)12-13)20-10-4-3-7-19-8-5-18-6-9-19/h11-12,18H,3-10H2,1-2H3/p+2