ethyl (2R)-2-(4-chlorophenyl)-2-[4-(2-methoxyethylcarbamoyl)piperazin-1-ium-1-yl]ethanoate

Systemtic Name: ethyl (2R)-2-(4-chlorophenyl)-2-[4-(2-methoxyethylcarbamoyl)piperazin-1-ium-1-yl]ethanoate Openeye Name: ethyl (2R)-2-(4-chlorophenyl)-2-[4-(2-methoxyethylcarbamoyl)piperazin-1-ium-1-yl]acetate CAS Name: (2R)-2-(4-chlorophenyl)-2-[4-[(2-methoxyethylamino)-oxomethyl]-1-piperazin-1-iumyl]acetic acid ethyl ester IUPAC Name: ethyl (2R)-2-(4-chlorophenyl)-2-[4-(2-methoxyethylcarbamoyl)piperazin-1-ium-1-yl]acetate Traditional Name: (2R)-2-(4-chlorophenyl)-2-[4-(2-methoxyethylcarbamoyl)piperazin-1-ium-1-yl]acetic acid ethyl ester Formula: C18H27ClN3O4+ MolecularWeight: 384.87768

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C1=CC=C(C=C1)Cl)[NH+]2CCN(CC2)C(=O)NCCOC

Isomeric SMILES

CCOC(=O)[C@@H](C1=CC=C(C=C1)Cl)[NH+]2CCN(CC2)C(=O)NCCOC

InChI

InChI=1S/C18H26ClN3O4/c1-3-26-17(23)16(14-4-6-15(19)7-5-14)21-9-11-22(12-10-21)18(24)20-8-13-25-2/h4-7,16H,3,8-13H2,1-2H3,(H,20,24)/p+1/t16-/m1/s1