3-methyl-N-[2-[1-[(4-phenylphenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]butanamide

Systemtic Name: 3-methyl-N-[2-[1-[(4-phenylphenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]butanamide Openeye Name: 3-methyl-N-[2-[1-[(4-phenylphenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]butanamide CAS Name: 3-methyl-N-[2-[1-[(4-phenylphenyl)methyl]-4-piperidin-1-iumyl]-3-pyrazolyl]butanamide IUPAC Name: 3-methyl-N-[2-[1-[(4-phenylphenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]butanamide Traditional Name: 3-methyl-N-[2-[1-(4-phenylbenzyl)piperidin-1-ium-4-yl]pyrazol-3-yl]butyramide Formula: C26H33N4O+ MolecularWeight: 417.56642

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC1=CC=NN1C2CC[NH+](CC2)CC3=CC=C(C=C3)C4=CC=CC=C4

Isomeric SMILES

CC(C)CC(=O)NC1=CC=NN1C2CC[NH+](CC2)CC3=CC=C(C=C3)C4=CC=CC=C4

InChI

InChI=1S/C26H32N4O/c1-20(2)18-26(31)28-25-12-15-27-30(25)24-13-16-29(17-14-24)19-21-8-10-23(11-9-21)22-6-4-3-5-7-22/h3-12,15,20,24H,13-14,16-19H2,1-2H3,(H,28,31)/p+1