N,2-dimethyl-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]pyrazole-3-carboxamide

Systemtic Name: N,2-dimethyl-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]pyrazole-3-carboxamide Openeye Name: N,2-dimethyl-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]pyrazole-3-carboxamide CAS Name: N,2-dimethyl-N-[(3S)-1-phenethyl-3-piperidin-1-iumyl]-3-pyrazolecarboxamide IUPAC Name: N,2-dimethyl-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]pyrazole-3-carboxamide Traditional Name: N,2-dimethyl-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]pyrazole-3-carboxamide Formula: C19H27N4O+ MolecularWeight: 327.44388

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC=N1)C(=O)N(C)C2CCC[NH+](C2)CCC3=CC=CC=C3

Isomeric SMILES

CN1C(=CC=N1)C(=O)N(C)[C@H]2CCC[NH+](C2)CCC3=CC=CC=C3

InChI

InChI=1S/C19H26N4O/c1-21(19(24)18-10-12-20-22(18)2)17-9-6-13-23(15-17)14-11-16-7-4-3-5-8-16/h3-5,7-8,10,12,17H,6,9,11,13-15H2,1-2H3/p+1/t17-/m0/s1