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

Systemtic Name: (2R)-N-(3-bromophenyl)-2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]propanamide Openeye Name: (2R)-N-(3-bromophenyl)-2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]propanamide CAS Name: (2R)-N-(3-bromophenyl)-2-[4-(4-methoxyphenyl)-1-piperazin-1-iumyl]propanamide IUPAC Name: (2R)-N-(3-bromophenyl)-2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]propanamide Traditional Name: (2R)-N-(3-bromophenyl)-2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]propionamide Formula: C20H25BrN3O2+ MolecularWeight: 419.3354

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C20H24BrN3O2/c1-15(20(25)22-17-5-3-4-16(21)14-17)23-10-12-24(13-11-23)18-6-8-19(26-2)9-7-18/h3-9,14-15H,10-13H2,1-2H3,(H,22,25)/p+1/t15-/m1/s1