1-[4-(4-chloranyl-3-ethyl-phenoxy)butyl]piperazine-1,4-diium

Systemtic Name: 1-[4-(4-chloranyl-3-ethyl-phenoxy)butyl]piperazine-1,4-diium Openeye Name: 1-[4-(4-chloro-3-ethyl-phenoxy)butyl]piperazine-1,4-diium CAS Name: 1-[4-(4-chloro-3-ethylphenoxy)butyl]piperazine-1,4-diium IUPAC Name: 1-[4-(4-chloro-3-ethylphenoxy)butyl]piperazine-1,4-diium Traditional Name: 1-[4-(4-chloro-3-ethyl-phenoxy)butyl]piperazine-1,4-diium Formula: C16H27ClN2O+2 MolecularWeight: 298.85138

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1)OCCCC[NH+]2CC[NH2+]CC2)Cl

Isomeric SMILES

CCC1=C(C=CC(=C1)OCCCC[NH+]2CC[NH2+]CC2)Cl

InChI

InChI=1S/C16H25ClN2O/c1-2-14-13-15(5-6-16(14)17)20-12-4-3-9-19-10-7-18-8-11-19/h5-6,13,18H,2-4,7-12H2,1H3/p+2