4-[4-(phenylmethyl)piperazin-4-ium-1-yl]phenol

Systemtic Name: 4-[4-(phenylmethyl)piperazin-4-ium-1-yl]phenol Openeye Name: 4-(4-benzylpiperazin-4-ium-1-yl)phenol CAS Name: 4-[4-(phenylmethyl)-1-piperazin-4-iumyl]phenol IUPAC Name: 4-(4-benzylpiperazin-4-ium-1-yl)phenol Traditional Name: 4-(4-benzylpiperazin-4-ium-1-yl)phenol Formula: C17H21N2O+ MolecularWeight: 269.36144

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C3=CC=C(C=C3)O

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C3=CC=C(C=C3)O

InChI

InChI=1S/C17H20N2O/c20-17-8-6-16(7-9-17)19-12-10-18(11-13-19)14-15-4-2-1-3-5-15/h1-9,20H,10-14H2/p+1