2-[3-[(1S)-1-pyrrolidin-1-ium-1-ylethyl]phenyl]pyridine-4-carboxamide

Systemtic Name: 2-[3-[(1S)-1-pyrrolidin-1-ium-1-ylethyl]phenyl]pyridine-4-carboxamide Openeye Name: 2-[3-[(1S)-1-pyrrolidin-1-ium-1-ylethyl]phenyl]pyridine-4-carboxamide CAS Name: 2-[3-[(1S)-1-(1-pyrrolidin-1-iumyl)ethyl]phenyl]-4-pyridinecarboxamide IUPAC Name: 2-[3-[(1S)-1-pyrrolidin-1-ium-1-ylethyl]phenyl]pyridine-4-carboxamide Traditional Name: 2-[3-[(1S)-1-pyrrolidin-1-ium-1-ylethyl]phenyl]isonicotinamide Formula: C18H22N3O+ MolecularWeight: 296.38678

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N3O/c1-13(21-9-2-3-10-21)14-5-4-6-15(11-14)17-12-16(18(19)22)7-8-20-17/h4-8,11-13H,2-3,9-10H2,1H3,(H2,19,22)/p+1/t13-/m0/s1