1-[(3-phenethyloxyphenyl)methyl]piperazin-4-ium

Systemtic Name: 1-[(3-phenethyloxyphenyl)methyl]piperazin-4-ium Openeye Name: 1-[(3-phenethyloxyphenyl)methyl]piperazin-4-ium CAS Name: 1-[(3-phenethyloxyphenyl)methyl]piperazin-4-ium IUPAC Name: 1-[(3-phenethyloxyphenyl)methyl]piperazin-4-ium Traditional Name: 1-(3-phenethyloxybenzyl)piperazin-4-ium Formula: C19H25N2O+ MolecularWeight: 297.4146

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH2+]1)CC2=CC(=CC=C2)OCCC3=CC=CC=C3

Isomeric SMILES

C1CN(CC[NH2+]1)CC2=CC(=CC=C2)OCCC3=CC=CC=C3

InChI

InChI=1S/C19H24N2O/c1-2-5-17(6-3-1)9-14-22-19-8-4-7-18(15-19)16-21-12-10-20-11-13-21/h1-8,15,20H,9-14,16H2/p+1