(2R)-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]-N-(4-methoxyphenyl)propanamide

Systemtic Name: (2R)-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]-N-(4-methoxyphenyl)propanamide Openeye Name: (2R)-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]-N-(4-methoxyphenyl)propanamide CAS Name: (2R)-2-[4-(2-hydroxyphenyl)-1-piperazin-1-iumyl]-N-(4-methoxyphenyl)propanamide IUPAC Name: (2R)-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]-N-(4-methoxyphenyl)propanamide Traditional Name: (2R)-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]-N-(4-methoxyphenyl)propionamide Formula: C20H26N3O3+ MolecularWeight: 356.43874

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N3O3/c1-15(20(25)21-16-7-9-17(26-2)10-8-16)22-11-13-23(14-12-22)18-5-3-4-6-19(18)24/h3-10,15,24H,11-14H2,1-2H3,(H,21,25)/p+1/t15-/m1/s1