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

Systemtic Name: methyl (2S)-2-[[4-(phenylmethyl)piperazin-4-ium-1-yl]carbonylamino]propanoate Openeye Name: methyl (2S)-2-[(4-benzylpiperazin-4-ium-1-carbonyl)amino]propanoate CAS Name: (2S)-2-[[oxo-[4-(phenylmethyl)-1-piperazin-4-iumyl]methyl]amino]propanoic acid methyl ester IUPAC Name: methyl (2S)-2-[(4-benzylpiperazin-4-ium-1-carbonyl)amino]propanoate Traditional Name: (2S)-2-[(4-benzylpiperazin-4-ium-1-carbonyl)amino]propionic acid methyl ester Formula: C16H24N3O3+ MolecularWeight: 306.38006

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23N3O3/c1-13(15(20)22-2)17-16(21)19-10-8-18(9-11-19)12-14-6-4-3-5-7-14/h3-7,13H,8-12H2,1-2H3,(H,17,21)/p+1/t13-/m0/s1