ethyl (2R)-2-(4-chlorophenyl)-2-[4-(3-methylthiophen-2-yl)carbonylpiperazin-1-ium-1-yl]ethanoate

Systemtic Name: ethyl (2R)-2-(4-chlorophenyl)-2-[4-(3-methylthiophen-2-yl)carbonylpiperazin-1-ium-1-yl]ethanoate Openeye Name: ethyl (2R)-2-(4-chlorophenyl)-2-[4-(3-methylthiophene-2-carbonyl)piperazin-1-ium-1-yl]acetate CAS Name: (2R)-2-(4-chlorophenyl)-2-[4-[(3-methyl-2-thiophenyl)-oxomethyl]-1-piperazin-1-iumyl]acetic acid ethyl ester IUPAC Name: ethyl (2R)-2-(4-chlorophenyl)-2-[4-(3-methylthiophene-2-carbonyl)piperazin-1-ium-1-yl]acetate Traditional Name: (2R)-2-(4-chlorophenyl)-2-[4-(3-methylthiophene-2-carbonyl)piperazin-1-ium-1-yl]acetic acid ethyl ester Formula: C20H24ClN2O3S+ MolecularWeight: 407.93416

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C1=CC=C(C=C1)Cl)[NH+]2CCN(CC2)C(=O)C3=C(C=CS3)C

Isomeric SMILES

CCOC(=O)[C@@H](C1=CC=C(C=C1)Cl)[NH+]2CCN(CC2)C(=O)C3=C(C=CS3)C

InChI

InChI=1S/C20H23ClN2O3S/c1-3-26-20(25)17(15-4-6-16(21)7-5-15)22-9-11-23(12-10-22)19(24)18-14(2)8-13-27-18/h4-8,13,17H,3,9-12H2,1-2H3/p+1/t17-/m1/s1