3-(1H-imidazol-2-yl)-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]benzamide

Systemtic Name: 3-(1H-imidazol-2-yl)-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]benzamide Openeye Name: 3-(1H-imidazol-2-yl)-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]benzamide CAS Name: 3-(1H-imidazol-2-yl)-N-[(3S)-1-phenethyl-3-piperidin-1-iumyl]benzamide IUPAC Name: 3-(1H-imidazol-2-yl)-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]benzamide Traditional Name: 3-(1H-imidazol-2-yl)-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]benzamide Formula: C23H27N4O+ MolecularWeight: 375.48668

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CCC2=CC=CC=C2)NC(=O)C3=CC=CC(=C3)C4=NC=CN4

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CCC2=CC=CC=C2)NC(=O)C3=CC=CC(=C3)C4=NC=CN4

InChI

InChI=1S/C23H26N4O/c28-23(20-9-4-8-19(16-20)22-24-12-13-25-22)26-21-10-5-14-27(17-21)15-11-18-6-2-1-3-7-18/h1-4,6-9,12-13,16,21H,5,10-11,14-15,17H2,(H,24,25)(H,26,28)/p+1/t21-/m0/s1