2-methyl-N-[2-[1-(3-phenylpropyl)piperidin-1-ium-4-yl]pyrazol-3-yl]benzamide

Systemtic Name: 2-methyl-N-[2-[1-(3-phenylpropyl)piperidin-1-ium-4-yl]pyrazol-3-yl]benzamide Openeye Name: 2-methyl-N-[2-[1-(3-phenylpropyl)piperidin-1-ium-4-yl]pyrazol-3-yl]benzamide CAS Name: 2-methyl-N-[2-[1-(3-phenylpropyl)-4-piperidin-1-iumyl]-3-pyrazolyl]benzamide IUPAC Name: 2-methyl-N-[2-[1-(3-phenylpropyl)piperidin-1-ium-4-yl]pyrazol-3-yl]benzamide Traditional Name: 2-methyl-N-[2-[1-(3-phenylpropyl)piperidin-1-ium-4-yl]pyrazol-3-yl]benzamide Formula: C25H31N4O+ MolecularWeight: 403.53984

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NC2=CC=NN2C3CC[NH+](CC3)CCCC4=CC=CC=C4

Isomeric SMILES

CC1=CC=CC=C1C(=O)NC2=CC=NN2C3CC[NH+](CC3)CCCC4=CC=CC=C4

InChI

InChI=1S/C25H30N4O/c1-20-8-5-6-12-23(20)25(30)27-24-13-16-26-29(24)22-14-18-28(19-15-22)17-7-11-21-9-3-2-4-10-21/h2-6,8-10,12-13,16,22H,7,11,14-15,17-19H2,1H3,(H,27,30)/p+1