4-[2-(1-methylpiperidin-1-ium-1-yl)ethylamino]benzoic acid

Systemtic Name: 4-[2-(1-methylpiperidin-1-ium-1-yl)ethylamino]benzoic acid Openeye Name: 4-[2-(1-methylpiperidin-1-ium-1-yl)ethylamino]benzoic acid CAS Name: 4-[2-(1-methyl-1-piperidin-1-iumyl)ethylamino]benzoic acid IUPAC Name: 4-[2-(1-methylpiperidin-1-ium-1-yl)ethylamino]benzoic acid Traditional Name: 4-[2-(1-methylpiperidin-1-ium-1-yl)ethylamino]benzoic acid Formula: C15H23N2O2+ MolecularWeight: 263.35532

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCCCC1)CCNC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

C[N+]1(CCCCC1)CCNC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C15H22N2O2/c1-17(10-3-2-4-11-17)12-9-16-14-7-5-13(6-8-14)15(18)19/h5-8,16H,2-4,9-12H2,1H3/p+1