(2R)-N-(3,4-dimethoxyphenyl)-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]propanamide

Systemtic Name: (2R)-N-(3,4-dimethoxyphenyl)-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]propanamide Openeye Name: (2R)-N-(3,4-dimethoxyphenyl)-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]propanamide CAS Name: (2R)-N-(3,4-dimethoxyphenyl)-2-[4-(2-hydroxyphenyl)-1-piperazin-1-iumyl]propanamide IUPAC Name: (2R)-N-(3,4-dimethoxyphenyl)-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]propanamide Traditional Name: (2R)-N-(3,4-dimethoxyphenyl)-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]propionamide Formula: C21H28N3O4+ MolecularWeight: 386.46472

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=C(C=C1)OC)OC)[NH+]2CCN(CC2)C3=CC=CC=C3O

Isomeric SMILES

C[C@H](C(=O)NC1=CC(=C(C=C1)OC)OC)[NH+]2CCN(CC2)C3=CC=CC=C3O

InChI

InChI=1S/C21H27N3O4/c1-15(21(26)22-16-8-9-19(27-2)20(14-16)28-3)23-10-12-24(13-11-23)17-6-4-5-7-18(17)25/h4-9,14-15,25H,10-13H2,1-3H3,(H,22,26)/p+1/t15-/m1/s1