2-(3-methylpyrazol-1-yl)-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]ethanamide

Systemtic Name: 2-(3-methylpyrazol-1-yl)-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]ethanamide Openeye Name: 2-(3-methylpyrazol-1-yl)-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]acetamide CAS Name: 2-(3-methyl-1-pyrazolyl)-N-[(3S)-1-phenethyl-3-piperidin-1-iumyl]acetamide IUPAC Name: 2-(3-methylpyrazol-1-yl)-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]acetamide Traditional Name: 2-(3-methylpyrazol-1-yl)-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]acetamide Formula: C19H27N4O+ MolecularWeight: 327.44388

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1)CC(=O)NC2CCC[NH+](C2)CCC3=CC=CC=C3

Isomeric SMILES

CC1=NN(C=C1)CC(=O)N[C@H]2CCC[NH+](C2)CCC3=CC=CC=C3

InChI

InChI=1S/C19H26N4O/c1-16-9-13-23(21-16)15-19(24)20-18-8-5-11-22(14-18)12-10-17-6-3-2-4-7-17/h2-4,6-7,9,13,18H,5,8,10-12,14-15H2,1H3,(H,20,24)/p+1/t18-/m0/s1