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

Systemtic Name: N-[2-[1-(1-benzofuran-2-ylmethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]-4-phenyl-butanamide Openeye Name: N-[2-[1-(benzofuran-2-ylmethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]-4-phenyl-butanamide CAS Name: N-[2-[1-(2-benzofuranylmethyl)-4-piperidin-1-iumyl]-3-pyrazolyl]-4-phenylbutanamide IUPAC Name: N-[2-[1-(1-benzofuran-2-ylmethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]-4-phenylbutanamide Traditional Name: N-[2-[1-(benzofuran-2-ylmethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]-4-phenyl-butyramide Formula: C27H31N4O2+ MolecularWeight: 443.56064

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1N2C(=CC=N2)NC(=O)CCCC3=CC=CC=C3)CC4=CC5=CC=CC=C5O4

Isomeric SMILES

C1C[NH+](CCC1N2C(=CC=N2)NC(=O)CCCC3=CC=CC=C3)CC4=CC5=CC=CC=C5O4

InChI

InChI=1S/C27H30N4O2/c32-27(12-6-9-21-7-2-1-3-8-21)29-26-13-16-28-31(26)23-14-17-30(18-15-23)20-24-19-22-10-4-5-11-25(22)33-24/h1-5,7-8,10-11,13,16,19,23H,6,9,12,14-15,17-18,20H2,(H,29,32)/p+1