3-[[4-[2-(4-methylpiperidin-1-ium-1-yl)ethanoylamino]phenyl]carbonylamino]propanoate

Systemtic Name: 3-[[4-[2-(4-methylpiperidin-1-ium-1-yl)ethanoylamino]phenyl]carbonylamino]propanoate Openeye Name: 3-[[4-[[2-(4-methylpiperidin-1-ium-1-yl)acetyl]amino]benzoyl]amino]propanoate CAS Name: 3-[[[4-[[2-(4-methyl-1-piperidin-1-iumyl)-1-oxoethyl]amino]phenyl]-oxomethyl]amino]propanoate IUPAC Name: 3-[[4-[[2-(4-methylpiperidin-1-ium-1-yl)acetyl]amino]benzoyl]amino]propanoate Traditional Name: 3-[[4-[[2-(4-methylpiperidin-1-ium-1-yl)acetyl]amino]benzoyl]amino]propionate Formula: C18H25N3O4 MolecularWeight: 347.4088

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)CC(=O)NC2=CC=C(C=C2)C(=O)NCCC(=O)[O-]

Isomeric SMILES

CC1CC[NH+](CC1)CC(=O)NC2=CC=C(C=C2)C(=O)NCCC(=O)[O-]

InChI

InChI=1S/C18H25N3O4/c1-13-7-10-21(11-8-13)12-16(22)20-15-4-2-14(3-5-15)18(25)19-9-6-17(23)24/h2-5,13H,6-12H2,1H3,(H,19,25)(H,20,22)(H,23,24)