(2S)-2-[2-[4-(3-methylphenyl)piperazin-1-ium-1-yl]ethanoylamino]propanoate

Systemtic Name: (2S)-2-[2-[4-(3-methylphenyl)piperazin-1-ium-1-yl]ethanoylamino]propanoate Openeye Name: (2S)-2-[[2-[4-(m-tolyl)piperazin-1-ium-1-yl]acetyl]amino]propanoate CAS Name: (2S)-2-[[2-[4-(3-methylphenyl)-1-piperazin-1-iumyl]-1-oxoethyl]amino]propanoate IUPAC Name: (2S)-2-[[2-[4-(3-methylphenyl)piperazin-1-ium-1-yl]acetyl]amino]propanoate Traditional Name: (2S)-2-[[2-[4-(m-tolyl)piperazin-1-ium-1-yl]acetyl]amino]propionate Formula: C16H23N3O3 MolecularWeight: 305.37212

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2CC[NH+](CC2)CC(=O)NC(C)C(=O)[O-]

Isomeric SMILES

CC1=CC(=CC=C1)N2CC[NH+](CC2)CC(=O)N[C@@H](C)C(=O)[O-]

InChI

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