methyl (2R)-2-(2-chlorophenyl)-2-[4-(3-methylquinoxalin-2-yl)piperazin-1-ium-1-yl]ethanoate

Systemtic Name: methyl (2R)-2-(2-chlorophenyl)-2-[4-(3-methylquinoxalin-2-yl)piperazin-1-ium-1-yl]ethanoate Openeye Name: methyl (2R)-2-(2-chlorophenyl)-2-[4-(3-methylquinoxalin-2-yl)piperazin-1-ium-1-yl]acetate CAS Name: (2R)-2-(2-chlorophenyl)-2-[4-(3-methyl-2-quinoxalinyl)-1-piperazin-1-iumyl]acetic acid methyl ester IUPAC Name: methyl (2R)-2-(2-chlorophenyl)-2-[4-(3-methylquinoxalin-2-yl)piperazin-1-ium-1-yl]acetate Traditional Name: (2R)-2-(2-chlorophenyl)-2-[4-(3-methylquinoxalin-2-yl)piperazin-1-ium-1-yl]acetic acid methyl ester Formula: C22H24ClN4O2+ MolecularWeight: 411.90456

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2N=C1N3CC[NH+](CC3)C(C4=CC=CC=C4Cl)C(=O)OC

Isomeric SMILES

CC1=NC2=CC=CC=C2N=C1N3CC[NH+](CC3)[C@H](C4=CC=CC=C4Cl)C(=O)OC

InChI

InChI=1S/C22H23ClN4O2/c1-15-21(25-19-10-6-5-9-18(19)24-15)27-13-11-26(12-14-27)20(22(28)29-2)16-7-3-4-8-17(16)23/h3-10,20H,11-14H2,1-2H3/p+1/t20-/m1/s1