(2R)-2-[4-(2-chlorophenyl)carbonylpiperazin-1-ium-1-yl]-N-methyl-N-phenyl-propanamide

Systemtic Name: (2R)-2-[4-(2-chlorophenyl)carbonylpiperazin-1-ium-1-yl]-N-methyl-N-phenyl-propanamide Openeye Name: (2R)-2-[4-(2-chlorobenzoyl)piperazin-1-ium-1-yl]-N-methyl-N-phenyl-propanamide CAS Name: (2R)-2-[4-[(2-chlorophenyl)-oxomethyl]-1-piperazin-1-iumyl]-N-methyl-N-phenylpropanamide IUPAC Name: (2R)-2-[4-(2-chlorobenzoyl)piperazin-1-ium-1-yl]-N-methyl-N-phenylpropanamide Traditional Name: (2R)-2-[4-(2-chlorobenzoyl)piperazin-1-ium-1-yl]-N-methyl-N-phenyl-propionamide Formula: C21H25ClN3O2+ MolecularWeight: 386.8951

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(C)C1=CC=CC=C1)[NH+]2CCN(CC2)C(=O)C3=CC=CC=C3Cl

Isomeric SMILES

C[C@H](C(=O)N(C)C1=CC=CC=C1)[NH+]2CCN(CC2)C(=O)C3=CC=CC=C3Cl

InChI

InChI=1S/C21H24ClN3O2/c1-16(20(26)23(2)17-8-4-3-5-9-17)24-12-14-25(15-13-24)21(27)18-10-6-7-11-19(18)22/h3-11,16H,12-15H2,1-2H3/p+1/t16-/m1/s1