(2R)-N-(3-chlorophenyl)-2-[4-(2-phenoxyethyl)piperazin-1-ium-1-yl]propanamide

Systemtic Name: (2R)-N-(3-chlorophenyl)-2-[4-(2-phenoxyethyl)piperazin-1-ium-1-yl]propanamide Openeye Name: (2R)-N-(3-chlorophenyl)-2-[4-(2-phenoxyethyl)piperazin-1-ium-1-yl]propanamide CAS Name: (2R)-N-(3-chlorophenyl)-2-[4-(2-phenoxyethyl)-1-piperazin-1-iumyl]propanamide IUPAC Name: (2R)-N-(3-chlorophenyl)-2-[4-(2-phenoxyethyl)piperazin-1-ium-1-yl]propanamide Traditional Name: (2R)-N-(3-chlorophenyl)-2-[4-(2-phenoxyethyl)piperazin-1-ium-1-yl]propionamide Formula: C21H27ClN3O2+ MolecularWeight: 388.91098

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=CC=C1)Cl)[NH+]2CCN(CC2)CCOC3=CC=CC=C3

Isomeric SMILES

C[C@H](C(=O)NC1=CC(=CC=C1)Cl)[NH+]2CCN(CC2)CCOC3=CC=CC=C3

InChI

InChI=1S/C21H26ClN3O2/c1-17(21(26)23-19-7-5-6-18(22)16-19)25-12-10-24(11-13-25)14-15-27-20-8-3-2-4-9-20/h2-9,16-17H,10-15H2,1H3,(H,23,26)/p+1/t17-/m1/s1