2-[[4-(phenylmethyl)piperazin-4-ium-1-yl]methyl]-4-pyridin-3-yl-phenol

Systemtic Name: 2-[[4-(phenylmethyl)piperazin-4-ium-1-yl]methyl]-4-pyridin-3-yl-phenol Openeye Name: 2-[(4-benzylpiperazin-4-ium-1-yl)methyl]-4-(3-pyridyl)phenol CAS Name: 2-[[4-(phenylmethyl)-1-piperazin-4-iumyl]methyl]-4-(3-pyridinyl)phenol IUPAC Name: 2-[(4-benzylpiperazin-4-ium-1-yl)methyl]-4-pyridin-3-ylphenol Traditional Name: 2-[(4-benzylpiperazin-4-ium-1-yl)methyl]-4-(3-pyridyl)phenol Formula: C23H26N3O+ MolecularWeight: 360.47204

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)CC3=C(C=CC(=C3)C4=CN=CC=C4)O

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)CC3=C(C=CC(=C3)C4=CN=CC=C4)O

InChI

InChI=1S/C23H25N3O/c27-23-9-8-20(21-7-4-10-24-16-21)15-22(23)18-26-13-11-25(12-14-26)17-19-5-2-1-3-6-19/h1-10,15-16,27H,11-14,17-18H2/p+1