5-[[4-[2-(1-oxidanidylpiperidin-1-ium-1-yl)ethyl]phenyl]amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-[[4-[2-(1-oxidanidylpiperidin-1-ium-1-yl)ethyl]phenyl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: 5-[4-[2-(1-oxidopiperidin-1-ium-1-yl)ethyl]anilino]-5-oxo-pentanoic acid CAS Name: 5-[4-[2-(1-oxido-1-piperidin-1-iumyl)ethyl]anilino]-5-oxopentanoic acid IUPAC Name: 5-[4-[2-(1-oxidopiperidin-1-ium-1-yl)ethyl]anilino]-5-oxopentanoic acid Traditional Name: 5-keto-5-[4-[2-(1-oxidopiperidin-1-ium-1-yl)ethyl]anilino]valeric acid Formula: C18H26N2O4 MolecularWeight: 334.41004

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[N+](CC1)(CCC2=CC=C(C=C2)NC(=O)CCCC(=O)O)[O-]

Isomeric SMILES

C1CC[N+](CC1)(CCC2=CC=C(C=C2)NC(=O)CCCC(=O)O)[O-]

InChI

InChI=1S/C18H26N2O4/c21-17(5-4-6-18(22)23)19-16-9-7-15(8-10-16)11-14-20(24)12-2-1-3-13-20/h7-10H,1-6,11-14H2,(H,19,21)(H,22,23)