(2S)-2-[4-(3-methylquinoxalin-2-yl)piperazin-1-ium-1-yl]-2-phenyl-ethanamide

Systemtic Name: (2S)-2-[4-(3-methylquinoxalin-2-yl)piperazin-1-ium-1-yl]-2-phenyl-ethanamide Openeye Name: (2S)-2-[4-(3-methylquinoxalin-2-yl)piperazin-1-ium-1-yl]-2-phenyl-acetamide CAS Name: (2S)-2-[4-(3-methyl-2-quinoxalinyl)-1-piperazin-1-iumyl]-2-phenylacetamide IUPAC Name: (2S)-2-[4-(3-methylquinoxalin-2-yl)piperazin-1-ium-1-yl]-2-phenylacetamide Traditional Name: (2S)-2-[4-(3-methylquinoxalin-2-yl)piperazin-1-ium-1-yl]-2-phenyl-acetamide Formula: C21H24N5O+ MolecularWeight: 362.44816

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N5O/c1-15-21(24-18-10-6-5-9-17(18)23-15)26-13-11-25(12-14-26)19(20(22)27)16-7-3-2-4-8-16/h2-10,19H,11-14H2,1H3,(H2,22,27)/p+1/t19-/m0/s1