3-imidazo[1,2-a]pyridin-2-yl-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]propanamide

Systemtic Name: 3-imidazo[1,2-a]pyridin-2-yl-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]propanamide Openeye Name: 3-imidazo[1,2-a]pyridin-2-yl-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]propanamide CAS Name: 3-(2-imidazo[1,2-a]pyridinyl)-N-[(3S)-1-phenethyl-3-piperidin-1-iumyl]propanamide IUPAC Name: 3-imidazo[1,2-a]pyridin-2-yl-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]propanamide Traditional Name: 3-imidazo[1,2-a]pyridin-2-yl-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]propionamide Formula: C23H29N4O+ MolecularWeight: 377.50256

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CCC2=CC=CC=C2)NC(=O)CCC3=CN4C=CC=CC4=N3

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CCC2=CC=CC=C2)NC(=O)CCC3=CN4C=CC=CC4=N3

InChI

InChI=1S/C23H28N4O/c28-23(12-11-21-18-27-15-5-4-10-22(27)24-21)25-20-9-6-14-26(17-20)16-13-19-7-2-1-3-8-19/h1-5,7-8,10,15,18,20H,6,9,11-14,16-17H2,(H,25,28)/p+1/t20-/m0/s1