4-[4-[(2-phenoxyphenyl)methyl]piperazin-4-ium-1-yl]phenol

Systemtic Name: 4-[4-[(2-phenoxyphenyl)methyl]piperazin-4-ium-1-yl]phenol Openeye Name: 4-[4-[(2-phenoxyphenyl)methyl]piperazin-4-ium-1-yl]phenol CAS Name: 4-[4-[(2-phenoxyphenyl)methyl]-1-piperazin-4-iumyl]phenol IUPAC Name: 4-[4-[(2-phenoxyphenyl)methyl]piperazin-4-ium-1-yl]phenol Traditional Name: 4-[4-(2-phenoxybenzyl)piperazin-4-ium-1-yl]phenol Formula: C23H25N2O2+ MolecularWeight: 361.4568

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2OC3=CC=CC=C3)C4=CC=C(C=C4)O

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2OC3=CC=CC=C3)C4=CC=C(C=C4)O

InChI

InChI=1S/C23H24N2O2/c26-21-12-10-20(11-13-21)25-16-14-24(15-17-25)18-19-6-4-5-9-23(19)27-22-7-2-1-3-8-22/h1-13,26H,14-18H2/p+1