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

Systemtic Name: methyl (2S)-3-methyl-2-[[4-(2-phenylethenyl)piperazin-4-ium-1-yl]carbonylamino]butanoate Openeye Name: methyl (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]butanoic acid methyl ester IUPAC Name: methyl (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]butyric acid methyl ester Formula: C19H28N3O3+ MolecularWeight: 346.44392

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H27N3O3/c1-15(2)17(18(23)25-3)20-19(24)22-13-11-21(12-14-22)10-9-16-7-5-4-6-8-16/h4-10,15,17H,11-14H2,1-3H3,(H,20,24)/p+1/t17-/m0/s1