N-[2-[1-[[5-(methoxymethyl)furan-2-yl]methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-4-phenyl-butanamide

Systemtic Name: N-[2-[1-[[5-(methoxymethyl)furan-2-yl]methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-4-phenyl-butanamide Openeye Name: N-[2-[1-[[5-(methoxymethyl)-2-furyl]methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-4-phenyl-butanamide CAS Name: N-[2-[1-[[5-(methoxymethyl)-2-furanyl]methyl]-4-piperidin-1-iumyl]-3-pyrazolyl]-4-phenylbutanamide IUPAC Name: N-[2-[1-[[5-(methoxymethyl)furan-2-yl]methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-4-phenylbutanamide Traditional Name: N-[2-[1-[[5-(methoxymethyl)-2-furyl]methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-4-phenyl-butyramide Formula: C25H33N4O3+ MolecularWeight: 437.55452

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Descriptors Computed from Structure

Canonical SMILES:

COCC1=CC=C(O1)C[NH+]2CCC(CC2)N3C(=CC=N3)NC(=O)CCCC4=CC=CC=C4

Isomeric SMILES

COCC1=CC=C(O1)C[NH+]2CCC(CC2)N3C(=CC=N3)NC(=O)CCCC4=CC=CC=C4

InChI

InChI=1S/C25H32N4O3/c1-31-19-23-11-10-22(32-23)18-28-16-13-21(14-17-28)29-24(12-15-26-29)27-25(30)9-5-8-20-6-3-2-4-7-20/h2-4,6-7,10-12,15,21H,5,8-9,13-14,16-19H2,1H3,(H,27,30)/p+1