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

Systemtic Name: 1-[(3S)-3-(furan-2-yl)-5-(4-methylphenyl)-1,3-dihydropyrazol-2-yl]-3-morpholin-4-ium-4-yl-propan-1-one Openeye Name: 1-[(3S)-3-(2-furyl)-5-(p-tolyl)-1,3-dihydropyrazol-2-yl]-3-morpholin-4-ium-4-yl-propan-1-one CAS Name: 1-[(3S)-3-(2-furanyl)-5-(4-methylphenyl)-1,3-dihydropyrazol-2-yl]-3-(4-morpholin-4-iumyl)-1-propanone IUPAC Name: 1-[(3S)-3-(furan-2-yl)-5-(4-methylphenyl)-1,3-dihydropyrazol-2-yl]-3-morpholin-4-ium-4-ylpropan-1-one Traditional Name: 1-[(5S)-5-(2-furyl)-3-(p-tolyl)-3-pyrazolin-1-yl]-3-morpholin-4-ium-4-yl-propan-1-one Formula: C21H26N3O3+ MolecularWeight: 368.44944

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC(N(N2)C(=O)CC[NH+]3CCOCC3)C4=CC=CO4

Isomeric SMILES

CC1=CC=C(C=C1)C2=C[C@H](N(N2)C(=O)CC[NH+]3CCOCC3)C4=CC=CO4

InChI

InChI=1S/C21H25N3O3/c1-16-4-6-17(7-5-16)18-15-19(20-3-2-12-27-20)24(22-18)21(25)8-9-23-10-13-26-14-11-23/h2-7,12,15,19,22H,8-11,13-14H2,1H3/p+1/t19-/m0/s1