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

Systemtic Name: (2R)-2-[4-(2-phenoxyethyl)piperazin-1-ium-1-yl]-N-phenyl-propanamide Openeye Name: (2R)-2-[4-(2-phenoxyethyl)piperazin-1-ium-1-yl]-N-phenyl-propanamide CAS Name: (2R)-2-[4-(2-phenoxyethyl)-1-piperazin-1-iumyl]-N-phenylpropanamide IUPAC Name: (2R)-2-[4-(2-phenoxyethyl)piperazin-1-ium-1-yl]-N-phenylpropanamide Traditional Name: (2R)-2-[4-(2-phenoxyethyl)piperazin-1-ium-1-yl]-N-phenyl-propionamide Formula: C21H28N3O2+ MolecularWeight: 354.46592

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O2/c1-18(21(25)22-19-8-4-2-5-9-19)24-14-12-23(13-15-24)16-17-26-20-10-6-3-7-11-20/h2-11,18H,12-17H2,1H3,(H,22,25)/p+1/t18-/m1/s1