N-[2-[1-(2,2-diphenylethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]benzamide

Systemtic Name: N-[2-[1-(2,2-diphenylethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]benzamide Openeye Name: N-[2-[1-(2,2-diphenylethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]benzamide CAS Name: N-[2-[1-(2,2-diphenylethyl)-4-piperidin-1-iumyl]-3-pyrazolyl]benzamide IUPAC Name: N-[2-[1-(2,2-diphenylethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]benzamide Traditional Name: N-[2-[1-(2,2-diphenylethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]benzamide Formula: C29H31N4O+ MolecularWeight: 451.58264

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1N2C(=CC=N2)NC(=O)C3=CC=CC=C3)CC(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1C[NH+](CCC1N2C(=CC=N2)NC(=O)C3=CC=CC=C3)CC(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C29H30N4O/c34-29(25-14-8-3-9-15-25)31-28-16-19-30-33(28)26-17-20-32(21-18-26)22-27(23-10-4-1-5-11-23)24-12-6-2-7-13-24/h1-16,19,26-27H,17-18,20-22H2,(H,31,34)/p+1