N,1,3-triphenyl-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]pyrazole-4-carboxamide

Systemtic Name: N,1,3-triphenyl-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]pyrazole-4-carboxamide Openeye Name: N-(1-benzylpiperidin-1-ium-4-yl)-N,1,3-triphenyl-pyrazole-4-carboxamide CAS Name: N,1,3-triphenyl-N-[1-(phenylmethyl)-4-piperidin-1-iumyl]-4-pyrazolecarboxamide IUPAC Name: N-(1-benzylpiperidin-1-ium-4-yl)-N,1,3-triphenylpyrazole-4-carboxamide Traditional Name: N-(1-benzylpiperidin-1-ium-4-yl)-N,1,3-triphenyl-pyrazole-4-carboxamide Formula: C34H33N4O+ MolecularWeight: 513.65202

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1N(C2=CC=CC=C2)C(=O)C3=CN(N=C3C4=CC=CC=C4)C5=CC=CC=C5)CC6=CC=CC=C6

Isomeric SMILES

C1C[NH+](CCC1N(C2=CC=CC=C2)C(=O)C3=CN(N=C3C4=CC=CC=C4)C5=CC=CC=C5)CC6=CC=CC=C6

InChI

InChI=1S/C34H32N4O/c39-34(32-26-37(29-17-9-3-10-18-29)35-33(32)28-15-7-2-8-16-28)38(30-19-11-4-12-20-30)31-21-23-36(24-22-31)25-27-13-5-1-6-14-27/h1-20,26,31H,21-25H2/p+1