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

Systemtic Name: (2R)-N-(3-bromophenyl)-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]propanamide Openeye Name: (2R)-N-(3-bromophenyl)-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]propanamide CAS Name: (2R)-N-(3-bromophenyl)-2-[4-(4-hydroxyphenyl)-1-piperazin-1-iumyl]propanamide IUPAC Name: (2R)-N-(3-bromophenyl)-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]propanamide Traditional Name: (2R)-N-(3-bromophenyl)-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]propionamide Formula: C19H23BrN3O2+ MolecularWeight: 405.30882

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22BrN3O2/c1-14(19(25)21-16-4-2-3-15(20)13-16)22-9-11-23(12-10-22)17-5-7-18(24)8-6-17/h2-8,13-14,24H,9-12H2,1H3,(H,21,25)/p+1/t14-/m1/s1