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

Systemtic Name: (2S)-4-methyl-2-[[4-(2-phenylethenyl)piperazin-4-ium-1-yl]carbonylamino]pentanoate Openeye Name: (2S)-4-methyl-2-[(4-styrylpiperazin-4-ium-1-carbonyl)amino]pentanoate CAS Name: (2S)-4-methyl-2-[[oxo-[4-(2-phenylethenyl)-1-piperazin-4-iumyl]methyl]amino]pentanoate IUPAC Name: (2S)-4-methyl-2-[[4-(2-phenylethenyl)piperazin-4-ium-1-carbonyl]amino]pentanoate Traditional Name: (2S)-4-methyl-2-[(4-styrylpiperazin-4-ium-1-carbonyl)amino]valerate Formula: C19H27N3O3 MolecularWeight: 345.43598

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H27N3O3/c1-15(2)14-17(18(23)24)20-19(25)22-12-10-21(11-13-22)9-8-16-6-4-3-5-7-16/h3-9,15,17H,10-14H2,1-2H3,(H,20,25)(H,23,24)/t17-/m0/s1