(2S)-2-[[3-[(4-methylpiperazin-4-ium-1-yl)methyl]phenyl]carbonylamino]propanoate

Systemtic Name: (2S)-2-[[3-[(4-methylpiperazin-4-ium-1-yl)methyl]phenyl]carbonylamino]propanoate Openeye Name: (2S)-2-[[3-[(4-methylpiperazin-4-ium-1-yl)methyl]benzoyl]amino]propanoate CAS Name: (2S)-2-[[[3-[(4-methyl-1-piperazin-4-iumyl)methyl]phenyl]-oxomethyl]amino]propanoate IUPAC Name: (2S)-2-[[3-[(4-methylpiperazin-4-ium-1-yl)methyl]benzoyl]amino]propanoate Traditional Name: (2S)-2-[[3-[(4-methylpiperazin-4-ium-1-yl)methyl]benzoyl]amino]propionate Formula: C16H23N3O3 MolecularWeight: 305.37212

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)[O-])NC(=O)C1=CC(=CC=C1)CN2CC[NH+](CC2)C

Isomeric SMILES

C[C@@H](C(=O)[O-])NC(=O)C1=CC(=CC=C1)CN2CC[NH+](CC2)C

InChI

InChI=1S/C16H23N3O3/c1-12(16(21)22)17-15(20)14-5-3-4-13(10-14)11-19-8-6-18(2)7-9-19/h3-5,10,12H,6-9,11H2,1-2H3,(H,17,20)(H,21,22)/t12-/m0/s1