N-[2-[1-(2,1,3-benzoxadiazol-5-ylmethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]-4-phenyl-butanamide

Systemtic Name: N-[2-[1-(2,1,3-benzoxadiazol-5-ylmethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]-4-phenyl-butanamide Openeye Name: N-[2-[1-(2,1,3-benzoxadiazol-5-ylmethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]-4-phenyl-butanamide CAS Name: N-[2-[1-(2,1,3-benzoxadiazol-5-ylmethyl)-4-piperidin-1-iumyl]-3-pyrazolyl]-4-phenylbutanamide IUPAC Name: N-[2-[1-(2,1,3-benzoxadiazol-5-ylmethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]-4-phenylbutanamide Traditional Name: N-[2-[1-(benzofurazan-5-ylmethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]-4-phenyl-butyramide Formula: C25H29N6O2+ MolecularWeight: 445.53676

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1N2C(=CC=N2)NC(=O)CCCC3=CC=CC=C3)CC4=CC5=NON=C5C=C4

Isomeric SMILES

C1C[NH+](CCC1N2C(=CC=N2)NC(=O)CCCC3=CC=CC=C3)CC4=CC5=NON=C5C=C4

InChI

InChI=1S/C25H28N6O2/c32-25(8-4-7-19-5-2-1-3-6-19)27-24-11-14-26-31(24)21-12-15-30(16-13-21)18-20-9-10-22-23(17-20)29-33-28-22/h1-3,5-6,9-11,14,17,21H,4,7-8,12-13,15-16,18H2,(H,27,32)/p+1