1-[(3S)-5-(4-chlorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-3-piperidin-1-ium-1-yl-propan-1-one

Systemtic Name: 1-[(3S)-5-(4-chlorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-3-piperidin-1-ium-1-yl-propan-1-one Openeye Name: 1-[(3S)-5-(4-chlorophenyl)-3-(2-furyl)-3,4-dihydropyrazol-2-yl]-3-piperidin-1-ium-1-yl-propan-1-one CAS Name: 1-[(3S)-5-(4-chlorophenyl)-3-(2-furanyl)-3,4-dihydropyrazol-2-yl]-3-(1-piperidin-1-iumyl)-1-propanone IUPAC Name: 1-[(3S)-5-(4-chlorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-3-piperidin-1-ium-1-ylpropan-1-one Traditional Name: 1-[(5S)-3-(4-chlorophenyl)-5-(2-furyl)-2-pyrazolin-1-yl]-3-piperidin-1-ium-1-yl-propan-1-one Formula: C21H25ClN3O2+ MolecularWeight: 386.8951

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCC(=O)N2C(CC(=N2)C3=CC=C(C=C3)Cl)C4=CC=CO4

Isomeric SMILES

C1CC[NH+](CC1)CCC(=O)N2[C@@H](CC(=N2)C3=CC=C(C=C3)Cl)C4=CC=CO4

InChI

InChI=1S/C21H24ClN3O2/c22-17-8-6-16(7-9-17)18-15-19(20-5-4-14-27-20)25(23-18)21(26)10-13-24-11-2-1-3-12-24/h4-9,14,19H,1-3,10-13,15H2/p+1/t19-/m0/s1