1-[[4-(3-propan-2-ylphenoxy)phenyl]methyl]piperazin-4-ium

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26N2O/c1-16(2)18-4-3-5-20(14-18)23-19-8-6-17(7-9-19)15-22-12-10-21-11-13-22/h3-9,14,16,21H,10-13,15H2,1-2H3/p+1