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

Systemtic Name: N-(phenylmethyl)-3-[1-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]piperidin-1-ium-4-yl]oxy-benzamide Openeye Name: N-benzyl-3-[1-[(3-isopropyl-1H-pyrazol-5-yl)methyl]piperidin-1-ium-4-yl]oxy-benzamide CAS Name: N-(phenylmethyl)-3-[[1-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]-4-piperidin-1-iumyl]oxy]benzamide IUPAC Name: N-benzyl-3-[1-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]piperidin-1-ium-4-yl]oxybenzamide Traditional Name: N-benzyl-3-[1-[(3-isopropyl-1H-pyrazol-5-yl)methyl]piperidin-1-ium-4-yl]oxy-benzamide Formula: C26H33N4O2+ MolecularWeight: 433.56582

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NNC(=C1)C[NH+]2CCC(CC2)OC3=CC=CC(=C3)C(=O)NCC4=CC=CC=C4

Isomeric SMILES

CC(C)C1=NNC(=C1)C[NH+]2CCC(CC2)OC3=CC=CC(=C3)C(=O)NCC4=CC=CC=C4

InChI

InChI=1S/C26H32N4O2/c1-19(2)25-16-22(28-29-25)18-30-13-11-23(12-14-30)32-24-10-6-9-21(15-24)26(31)27-17-20-7-4-3-5-8-20/h3-10,15-16,19,23H,11-14,17-18H2,1-2H3,(H,27,31)(H,28,29)/p+1