2,6-dimethoxy-4-[[4-(phenylmethyl)piperazin-1-ium-1-yl]methyl]phenol

Systemtic Name: 2,6-dimethoxy-4-[[4-(phenylmethyl)piperazin-1-ium-1-yl]methyl]phenol Openeye Name: 4-[(4-benzylpiperazin-1-ium-1-yl)methyl]-2,6-dimethoxy-phenol CAS Name: 2,6-dimethoxy-4-[[4-(phenylmethyl)-1-piperazin-1-iumyl]methyl]phenol IUPAC Name: 4-[(4-benzylpiperazin-1-ium-1-yl)methyl]-2,6-dimethoxyphenol Traditional Name: 4-[(4-benzylpiperazin-1-ium-1-yl)methyl]-2,6-dimethoxy-phenol Formula: C20H27N2O3+ MolecularWeight: 343.43998

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1O)OC)C[NH+]2CCN(CC2)CC3=CC=CC=C3

Isomeric SMILES

COC1=CC(=CC(=C1O)OC)C[NH+]2CCN(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C20H26N2O3/c1-24-18-12-17(13-19(25-2)20(18)23)15-22-10-8-21(9-11-22)14-16-6-4-3-5-7-16/h3-7,12-13,23H,8-11,14-15H2,1-2H3/p+1