2-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]-4-(2,5-dimethoxyphenyl)phenol

Systemtic Name: 2-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]-4-(2,5-dimethoxyphenyl)phenol Openeye Name: 2-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]-4-(2,5-dimethoxyphenyl)phenol CAS Name: 2-[[4-(3-chlorophenyl)-1-piperazin-1-iumyl]methyl]-4-(2,5-dimethoxyphenyl)phenol IUPAC Name: 2-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]-4-(2,5-dimethoxyphenyl)phenol Traditional Name: 2-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]-4-(2,5-dimethoxyphenyl)phenol Formula: C25H28ClN2O3+ MolecularWeight: 439.95442

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)C2=CC(=C(C=C2)O)C[NH+]3CCN(CC3)C4=CC(=CC=C4)Cl

Isomeric SMILES

COC1=CC(=C(C=C1)OC)C2=CC(=C(C=C2)O)C[NH+]3CCN(CC3)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C25H27ClN2O3/c1-30-22-7-9-25(31-2)23(16-22)18-6-8-24(29)19(14-18)17-27-10-12-28(13-11-27)21-5-3-4-20(26)15-21/h3-9,14-16,29H,10-13,17H2,1-2H3/p+1