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

Systemtic Name: (2R)-N-(4-bromophenyl)-2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]propanamide Openeye Name: (2R)-N-(4-bromophenyl)-2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]propanamide CAS Name: (2R)-N-(4-bromophenyl)-2-[4-(2-ethoxyphenyl)-1-piperazin-1-iumyl]propanamide IUPAC Name: (2R)-N-(4-bromophenyl)-2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]propanamide Traditional Name: (2R)-N-(4-bromophenyl)-2-(4-o-phenetylpiperazin-1-ium-1-yl)propionamide Formula: C21H27BrN3O2+ MolecularWeight: 433.36198

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2CC[NH+](CC2)C(C)C(=O)NC3=CC=C(C=C3)Br

Isomeric SMILES

CCOC1=CC=CC=C1N2CC[NH+](CC2)[C@H](C)C(=O)NC3=CC=C(C=C3)Br

InChI

InChI=1S/C21H26BrN3O2/c1-3-27-20-7-5-4-6-19(20)25-14-12-24(13-15-25)16(2)21(26)23-18-10-8-17(22)9-11-18/h4-11,16H,3,12-15H2,1-2H3,(H,23,26)/p+1/t16-/m1/s1