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

Systemtic Name: 1-[[4-(2,3,6-trimethylphenoxy)phenyl]methyl]piperazin-4-ium Openeye Name: 1-[[4-(2,3,6-trimethylphenoxy)phenyl]methyl]piperazin-4-ium CAS Name: 1-[[4-(2,3,6-trimethylphenoxy)phenyl]methyl]piperazin-4-ium IUPAC Name: 1-[[4-(2,3,6-trimethylphenoxy)phenyl]methyl]piperazin-4-ium Traditional Name: 1-[4-(2,3,6-trimethylphenoxy)benzyl]piperazin-4-ium Formula: C20H27N2O+ MolecularWeight: 311.44118

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)C)OC2=CC=C(C=C2)CN3CC[NH2+]CC3)C

Isomeric SMILES

CC1=C(C(=C(C=C1)C)OC2=CC=C(C=C2)CN3CC[NH2+]CC3)C

InChI

InChI=1S/C20H26N2O/c1-15-4-5-16(2)20(17(15)3)23-19-8-6-18(7-9-19)14-22-12-10-21-11-13-22/h4-9,21H,10-14H2,1-3H3/p+1