4-[(3-hydroxyphenyl)methyl]-1-(4-methoxyphenyl)-6,6-dimethyl-piperazin-4-ium-2-one

Systemtic Name: 4-[(3-hydroxyphenyl)methyl]-1-(4-methoxyphenyl)-6,6-dimethyl-piperazin-4-ium-2-one Openeye Name: 4-[(3-hydroxyphenyl)methyl]-1-(4-methoxyphenyl)-6,6-dimethyl-piperazin-4-ium-2-one CAS Name: 4-[(3-hydroxyphenyl)methyl]-1-(4-methoxyphenyl)-6,6-dimethyl-2-piperazin-4-iumone IUPAC Name: 4-[(3-hydroxyphenyl)methyl]-1-(4-methoxyphenyl)-6,6-dimethylpiperazin-4-ium-2-one Traditional Name: 4-(3-hydroxybenzyl)-1-(4-methoxyphenyl)-6,6-dimethyl-piperazin-4-ium-2-one Formula: C20H25N2O3+ MolecularWeight: 341.4241

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C[NH+](CC(=O)N1C2=CC=C(C=C2)OC)CC3=CC(=CC=C3)O)C

Isomeric SMILES

CC1(C[NH+](CC(=O)N1C2=CC=C(C=C2)OC)CC3=CC(=CC=C3)O)C

InChI

InChI=1S/C20H24N2O3/c1-20(2)14-21(12-15-5-4-6-17(23)11-15)13-19(24)22(20)16-7-9-18(25-3)10-8-16/h4-11,23H,12-14H2,1-3H3/p+1