4-phenyl-N-[[(3R)-1-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]piperidin-1-ium-3-yl]methyl]benzamide

Systemtic Name: 4-phenyl-N-[[(3R)-1-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]piperidin-1-ium-3-yl]methyl]benzamide Openeye Name: N-[[(3R)-1-[(3-isopropyl-1H-pyrazol-5-yl)methyl]piperidin-1-ium-3-yl]methyl]-4-phenyl-benzamide CAS Name: 4-phenyl-N-[[(3R)-1-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]-3-piperidin-1-iumyl]methyl]benzamide IUPAC Name: 4-phenyl-N-[[(3R)-1-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]piperidin-1-ium-3-yl]methyl]benzamide Traditional Name: N-[[(3R)-1-[(3-isopropyl-1H-pyrazol-5-yl)methyl]piperidin-1-ium-3-yl]methyl]-4-phenyl-benzamide Formula: C26H33N4O+ MolecularWeight: 417.56642

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NNC(=C1)C[NH+]2CCCC(C2)CNC(=O)C3=CC=C(C=C3)C4=CC=CC=C4

Isomeric SMILES

CC(C)C1=NNC(=C1)C[NH+]2CCC[C@@H](C2)CNC(=O)C3=CC=C(C=C3)C4=CC=CC=C4

InChI

InChI=1S/C26H32N4O/c1-19(2)25-15-24(28-29-25)18-30-14-6-7-20(17-30)16-27-26(31)23-12-10-22(11-13-23)21-8-4-3-5-9-21/h3-5,8-13,15,19-20H,6-7,14,16-18H2,1-2H3,(H,27,31)(H,28,29)/p+1/t20-/m1/s1