2,3-dimethoxy-6-[[1-(phenylmethyl)piperazin-1-ium-1-yl]methyl]phenol

Systemtic Name: 2,3-dimethoxy-6-[[1-(phenylmethyl)piperazin-1-ium-1-yl]methyl]phenol Openeye Name: 6-[(1-benzylpiperazin-1-ium-1-yl)methyl]-2,3-dimethoxy-phenol CAS Name: 2,3-dimethoxy-6-[[1-(phenylmethyl)-1-piperazin-1-iumyl]methyl]phenol IUPAC Name: 6-[(1-benzylpiperazin-1-ium-1-yl)methyl]-2,3-dimethoxyphenol Traditional Name: 6-[(1-benzylpiperazin-1-ium-1-yl)methyl]-2,3-dimethoxy-phenol Formula: C20H27N2O3+ MolecularWeight: 343.43998

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)C[N+]2(CCNCC2)CC3=CC=CC=C3)O)OC

Isomeric SMILES

COC1=C(C(=C(C=C1)C[N+]2(CCNCC2)CC3=CC=CC=C3)O)OC

InChI

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