1-[4-(2,5-dimethylphenoxy)butyl]piperazin-4-ium

Systemtic Name: 1-[4-(2,5-dimethylphenoxy)butyl]piperazin-4-ium Openeye Name: 1-[4-(2,5-dimethylphenoxy)butyl]piperazin-4-ium CAS Name: 1-[4-(2,5-dimethylphenoxy)butyl]piperazin-4-ium IUPAC Name: 1-[4-(2,5-dimethylphenoxy)butyl]piperazin-4-ium Traditional Name: 1-[4-(2,5-dimethylphenoxy)butyl]piperazin-4-ium Formula: C16H27N2O+ MolecularWeight: 263.39838

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)OCCCCN2CC[NH2+]CC2

Isomeric SMILES

CC1=CC(=C(C=C1)C)OCCCCN2CC[NH2+]CC2

InChI

InChI=1S/C16H26N2O/c1-14-5-6-15(2)16(13-14)19-12-4-3-9-18-10-7-17-8-11-18/h5-6,13,17H,3-4,7-12H2,1-2H3/p+1