1-[[4-(3,5-dimethylphenoxy)phenyl]methyl]piperazin-4-ium

Systemtic Name: 1-[[4-(3,5-dimethylphenoxy)phenyl]methyl]piperazin-4-ium Openeye Name: 1-[[4-(3,5-dimethylphenoxy)phenyl]methyl]piperazin-4-ium CAS Name: 1-[[4-(3,5-dimethylphenoxy)phenyl]methyl]piperazin-4-ium IUPAC Name: 1-[[4-(3,5-dimethylphenoxy)phenyl]methyl]piperazin-4-ium Traditional Name: 1-[4-(3,5-dimethylphenoxy)benzyl]piperazin-4-ium Formula: C19H25N2O+ MolecularWeight: 297.4146

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H24N2O/c1-15-11-16(2)13-19(12-15)22-18-5-3-17(4-6-18)14-21-9-7-20-8-10-21/h3-6,11-13,20H,7-10,14H2,1-2H3/p+1