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

Systemtic Name: 5-[[4-[2-(1-methylpiperidin-1-ium-1-yl)ethyl]phenyl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: 5-[4-[2-(1-methylpiperidin-1-ium-1-yl)ethyl]anilino]-5-oxo-pentanoic acid CAS Name: 5-[4-[2-(1-methyl-1-piperidin-1-iumyl)ethyl]anilino]-5-oxopentanoic acid IUPAC Name: 5-[4-[2-(1-methylpiperidin-1-ium-1-yl)ethyl]anilino]-5-oxopentanoic acid Traditional Name: 5-keto-5-[4-[2-(1-methylpiperidin-1-ium-1-yl)ethyl]anilino]valeric acid Formula: C19H29N2O3+ MolecularWeight: 333.44516

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCCCC1)CCC2=CC=C(C=C2)NC(=O)CCCC(=O)O

Isomeric SMILES

C[N+]1(CCCCC1)CCC2=CC=C(C=C2)NC(=O)CCCC(=O)O

InChI

InChI=1S/C19H28N2O3/c1-21(13-3-2-4-14-21)15-12-16-8-10-17(11-9-16)20-18(22)6-5-7-19(23)24/h8-11H,2-7,12-15H2,1H3,(H-,20,22,23,24)/p+1