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

Systemtic Name: methyl (2S)-2-[[4-(2-phenylethenyl)piperazin-4-ium-1-yl]carbonylamino]propanoate Openeye Name: methyl (2S)-2-[(4-styrylpiperazin-4-ium-1-carbonyl)amino]propanoate CAS Name: (2S)-2-[[oxo-[4-(2-phenylethenyl)-1-piperazin-4-iumyl]methyl]amino]propanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[4-(2-phenylethenyl)piperazin-4-ium-1-carbonyl]amino]propanoate Traditional Name: (2S)-2-[(4-styrylpiperazin-4-ium-1-carbonyl)amino]propionic acid methyl ester Formula: C17H24N3O3+ MolecularWeight: 318.39076

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23N3O3/c1-14(16(21)23-2)18-17(22)20-12-10-19(11-13-20)9-8-15-6-4-3-5-7-15/h3-9,14H,10-13H2,1-2H3,(H,18,22)/p+1/t14-/m0/s1