N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]-3-(1H-pyrazol-4-yl)propanamide

Systemtic Name: N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]-3-(1H-pyrazol-4-yl)propanamide Openeye Name: N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]-3-(1H-pyrazol-4-yl)propanamide CAS Name: N-[(3S)-1-phenethyl-3-piperidin-1-iumyl]-3-(1H-pyrazol-4-yl)propanamide IUPAC Name: N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]-3-(1H-pyrazol-4-yl)propanamide Traditional Name: N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]-3-(1H-pyrazol-4-yl)propionamide Formula: C19H27N4O+ MolecularWeight: 327.44388

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CCC2=CC=CC=C2)NC(=O)CCC3=CNN=C3

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CCC2=CC=CC=C2)NC(=O)CCC3=CNN=C3

InChI

InChI=1S/C19H26N4O/c24-19(9-8-17-13-20-21-14-17)22-18-7-4-11-23(15-18)12-10-16-5-2-1-3-6-16/h1-3,5-6,13-14,18H,4,7-12,15H2,(H,20,21)(H,22,24)/p+1/t18-/m0/s1