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

Systemtic Name: 3-[[4-(phenylmethyl)piperazin-4-ium-1-yl]methyl]phenol Openeye Name: 3-[(4-benzylpiperazin-4-ium-1-yl)methyl]phenol CAS Name: 3-[[4-(phenylmethyl)-1-piperazin-4-iumyl]methyl]phenol IUPAC Name: 3-[(4-benzylpiperazin-4-ium-1-yl)methyl]phenol Traditional Name: 3-[(4-benzylpiperazin-4-ium-1-yl)methyl]phenol Formula: C18H23N2O+ MolecularWeight: 283.38802

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N2O/c21-18-8-4-7-17(13-18)15-20-11-9-19(10-12-20)14-16-5-2-1-3-6-16/h1-8,13,21H,9-12,14-15H2/p+1