(3S)-1-[[5-(methoxymethyl)furan-2-yl]methyl]-3-(4-naphthalen-1-yl-1H-pyrazol-5-yl)piperidin-1-ium

Systemtic Name: (3S)-1-[[5-(methoxymethyl)furan-2-yl]methyl]-3-(4-naphthalen-1-yl-1H-pyrazol-5-yl)piperidin-1-ium Openeye Name: (3S)-1-[[5-(methoxymethyl)-2-furyl]methyl]-3-[4-(1-naphthyl)-1H-pyrazol-5-yl]piperidin-1-ium CAS Name: (3S)-1-[[5-(methoxymethyl)-2-furanyl]methyl]-3-[4-(1-naphthalenyl)-1H-pyrazol-5-yl]piperidin-1-ium IUPAC Name: (3S)-1-[[5-(methoxymethyl)furan-2-yl]methyl]-3-(4-naphthalen-1-yl-1H-pyrazol-5-yl)piperidin-1-ium Traditional Name: (3S)-1-[[5-(methoxymethyl)-2-furyl]methyl]-3-[4-(1-naphthyl)-1H-pyrazol-5-yl]piperidin-1-ium Formula: C25H28N3O2+ MolecularWeight: 402.50872

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Descriptors Computed from Structure

Canonical SMILES:

COCC1=CC=C(O1)C[NH+]2CCCC(C2)C3=C(C=NN3)C4=CC=CC5=CC=CC=C54

Isomeric SMILES

COCC1=CC=C(O1)C[NH+]2CCC[C@@H](C2)C3=C(C=NN3)C4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C25H27N3O2/c1-29-17-21-12-11-20(30-21)16-28-13-5-8-19(15-28)25-24(14-26-27-25)23-10-4-7-18-6-2-3-9-22(18)23/h2-4,6-7,9-12,14,19H,5,8,13,15-17H2,1H3,(H,26,27)/p+1/t19-/m0/s1