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

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

CC1CCC[NH+](C1)CC(=O)NC2=CC=C(C=C2)C(=O)NCCC(=O)[O-]

Isomeric SMILES

C[C@H]1CCC[NH+](C1)CC(=O)NC2=CC=C(C=C2)C(=O)NCCC(=O)[O-]

InChI

InChI=1S/C18H25N3O4/c1-13-3-2-10-21(11-13)12-16(22)20-15-6-4-14(5-7-15)18(25)19-9-8-17(23)24/h4-7,13H,2-3,8-12H2,1H3,(H,19,25)(H,20,22)(H,23,24)/t13-/m0/s1