1-[4-(2,3,6-trimethylphenoxy)phenyl]piperazin-4-ium

Systemtic Name: 1-[4-(2,3,6-trimethylphenoxy)phenyl]piperazin-4-ium Openeye Name: 1-[4-(2,3,6-trimethylphenoxy)phenyl]piperazin-4-ium CAS Name: 1-[4-(2,3,6-trimethylphenoxy)phenyl]piperazin-4-ium IUPAC Name: 1-[4-(2,3,6-trimethylphenoxy)phenyl]piperazin-4-ium Traditional Name: 1-[4-(2,3,6-trimethylphenoxy)phenyl]piperazin-4-ium Formula: C19H25N2O+ MolecularWeight: 297.4146

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)C)OC2=CC=C(C=C2)N3CC[NH2+]CC3)C

Isomeric SMILES

CC1=C(C(=C(C=C1)C)OC2=CC=C(C=C2)N3CC[NH2+]CC3)C

InChI

InChI=1S/C19H24N2O/c1-14-4-5-15(2)19(16(14)3)22-18-8-6-17(7-9-18)21-12-10-20-11-13-21/h4-9,20H,10-13H2,1-3H3/p+1