6-[4-[(1S)-1-pyrrolidin-1-ium-1-ylethyl]phenyl]pyridine-3-carboxylate

Systemtic Name: 6-[4-[(1S)-1-pyrrolidin-1-ium-1-ylethyl]phenyl]pyridine-3-carboxylate Openeye Name: 6-[4-[(1S)-1-pyrrolidin-1-ium-1-ylethyl]phenyl]pyridine-3-carboxylate CAS Name: 6-[4-[(1S)-1-(1-pyrrolidin-1-iumyl)ethyl]phenyl]-3-pyridinecarboxylate IUPAC Name: 6-[4-[(1S)-1-pyrrolidin-1-ium-1-ylethyl]phenyl]pyridine-3-carboxylate Traditional Name: 6-[4-[(1S)-1-pyrrolidin-1-ium-1-ylethyl]phenyl]nicotinate Formula: C18H20N2O2 MolecularWeight: 296.3636

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)C2=NC=C(C=C2)C(=O)[O-])[NH+]3CCCC3

Isomeric SMILES

C[C@@H](C1=CC=C(C=C1)C2=NC=C(C=C2)C(=O)[O-])[NH+]3CCCC3

InChI

InChI=1S/C18H20N2O2/c1-13(20-10-2-3-11-20)14-4-6-15(7-5-14)17-9-8-16(12-19-17)18(21)22/h4-9,12-13H,2-3,10-11H2,1H3,(H,21,22)/t13-/m0/s1