N-[2-[1-[(2S)-2-phenylpropyl]piperidin-1-ium-4-yl]pyrazol-3-yl]pyridine-3-carboxamide

Systemtic Name: N-[2-[1-[(2S)-2-phenylpropyl]piperidin-1-ium-4-yl]pyrazol-3-yl]pyridine-3-carboxamide Openeye Name: N-[2-[1-[(2S)-2-phenylpropyl]piperidin-1-ium-4-yl]pyrazol-3-yl]pyridine-3-carboxamide CAS Name: N-[2-[1-[(2S)-2-phenylpropyl]-4-piperidin-1-iumyl]-3-pyrazolyl]-3-pyridinecarboxamide IUPAC Name: N-[2-[1-[(2S)-2-phenylpropyl]piperidin-1-ium-4-yl]pyrazol-3-yl]pyridine-3-carboxamide Traditional Name: N-[2-[1-[(2S)-2-phenylpropyl]piperidin-1-ium-4-yl]pyrazol-3-yl]nicotinamide Formula: C23H28N5O+ MolecularWeight: 390.50132

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C[NH+]1CCC(CC1)N2C(=CC=N2)NC(=O)C3=CN=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C[C@H](C[NH+]1CCC(CC1)N2C(=CC=N2)NC(=O)C3=CN=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C23H27N5O/c1-18(19-6-3-2-4-7-19)17-27-14-10-21(11-15-27)28-22(9-13-25-28)26-23(29)20-8-5-12-24-16-20/h2-9,12-13,16,18,21H,10-11,14-15,17H2,1H3,(H,26,29)/p+1/t18-/m1/s1