(2S)-3-methyl-2-[[4-(2-phenylethenyl)piperazin-4-ium-1-yl]carbonylamino]butanoate

Systemtic Name: (2S)-3-methyl-2-[[4-(2-phenylethenyl)piperazin-4-ium-1-yl]carbonylamino]butanoate Openeye Name: (2S)-3-methyl-2-[(4-styrylpiperazin-4-ium-1-carbonyl)amino]butanoate CAS Name: (2S)-3-methyl-2-[[oxo-[4-(2-phenylethenyl)-1-piperazin-4-iumyl]methyl]amino]butanoate IUPAC Name: (2S)-3-methyl-2-[[4-(2-phenylethenyl)piperazin-4-ium-1-carbonyl]amino]butanoate Traditional Name: (2S)-3-methyl-2-[(4-styrylpiperazin-4-ium-1-carbonyl)amino]butyrate Formula: C18H25N3O3 MolecularWeight: 331.4094

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)[O-])NC(=O)N1CC[NH+](CC1)C=CC2=CC=CC=C2

Isomeric SMILES

CC(C)[C@@H](C(=O)[O-])NC(=O)N1CC[NH+](CC1)C=CC2=CC=CC=C2

InChI

InChI=1S/C18H25N3O3/c1-14(2)16(17(22)23)19-18(24)21-12-10-20(11-13-21)9-8-15-6-4-3-5-7-15/h3-9,14,16H,10-13H2,1-2H3,(H,19,24)(H,22,23)/t16-/m0/s1