2-[[4-(2,5-dimethylphenyl)piperazin-1-ium-1-yl]methyl]-4-methoxy-phenol

Systemtic Name: 2-[[4-(2,5-dimethylphenyl)piperazin-1-ium-1-yl]methyl]-4-methoxy-phenol Openeye Name: 2-[[4-(2,5-dimethylphenyl)piperazin-1-ium-1-yl]methyl]-4-methoxy-phenol CAS Name: 2-[[4-(2,5-dimethylphenyl)-1-piperazin-1-iumyl]methyl]-4-methoxyphenol IUPAC Name: 2-[[4-(2,5-dimethylphenyl)piperazin-1-ium-1-yl]methyl]-4-methoxyphenol Traditional Name: 2-[[4-(2,5-dimethylphenyl)piperazin-1-ium-1-yl]methyl]-4-methoxy-phenol Formula: C20H27N2O2+ MolecularWeight: 327.44058

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N2CC[NH+](CC2)CC3=C(C=CC(=C3)OC)O

Isomeric SMILES

CC1=CC(=C(C=C1)C)N2CC[NH+](CC2)CC3=C(C=CC(=C3)OC)O

InChI

InChI=1S/C20H26N2O2/c1-15-4-5-16(2)19(12-15)22-10-8-21(9-11-22)14-17-13-18(24-3)6-7-20(17)23/h4-7,12-13,23H,8-11,14H2,1-3H3/p+1