N-[2-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-1-ium-4-yl]pyrazol-3-yl]-3-methyl-butanamide

Systemtic Name: N-[2-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-1-ium-4-yl]pyrazol-3-yl]-3-methyl-butanamide Openeye Name: N-[2-(1-indan-2-ylpiperidin-1-ium-4-yl)pyrazol-3-yl]-3-methyl-butanamide CAS Name: N-[2-[1-(2,3-dihydro-1H-inden-2-yl)-4-piperidin-1-iumyl]-3-pyrazolyl]-3-methylbutanamide IUPAC Name: N-[2-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-1-ium-4-yl]pyrazol-3-yl]-3-methylbutanamide Traditional Name: N-[2-(1-indan-2-ylpiperidin-1-ium-4-yl)pyrazol-3-yl]-3-methyl-butyramide Formula: C22H31N4O+ MolecularWeight: 367.50774

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC1=CC=NN1C2CC[NH+](CC2)C3CC4=CC=CC=C4C3

Isomeric SMILES

CC(C)CC(=O)NC1=CC=NN1C2CC[NH+](CC2)C3CC4=CC=CC=C4C3

InChI

InChI=1S/C22H30N4O/c1-16(2)13-22(27)24-21-7-10-23-26(21)19-8-11-25(12-9-19)20-14-17-5-3-4-6-18(17)15-20/h3-7,10,16,19-20H,8-9,11-15H2,1-2H3,(H,24,27)/p+1