1-[[4-(2,4,5-trimethylphenoxy)phenyl]methyl]piperazin-4-ium

Systemtic Name: 1-[[4-(2,4,5-trimethylphenoxy)phenyl]methyl]piperazin-4-ium Openeye Name: 1-[[4-(2,4,5-trimethylphenoxy)phenyl]methyl]piperazin-4-ium CAS Name: 1-[[4-(2,4,5-trimethylphenoxy)phenyl]methyl]piperazin-4-ium IUPAC Name: 1-[[4-(2,4,5-trimethylphenoxy)phenyl]methyl]piperazin-4-ium Traditional Name: 1-[4-(2,4,5-trimethylphenoxy)benzyl]piperazin-4-ium Formula: C20H27N2O+ MolecularWeight: 311.44118

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C)OC2=CC=C(C=C2)CN3CC[NH2+]CC3)C

Isomeric SMILES

CC1=CC(=C(C=C1C)OC2=CC=C(C=C2)CN3CC[NH2+]CC3)C

InChI

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