1-[(5-chloranyl-1,3-dimethyl-pyrazol-4-yl)methyl]-4-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidin-1-ium-4-ol

Systemtic Name: 1-[(5-chloranyl-1,3-dimethyl-pyrazol-4-yl)methyl]-4-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidin-1-ium-4-ol Openeye Name: 1-[(5-chloro-1,3-dimethyl-pyrazol-4-yl)methyl]-4-[(3-phenylisoxazol-5-yl)methyl]piperidin-1-ium-4-ol CAS Name: 1-[(5-chloro-1,3-dimethyl-4-pyrazolyl)methyl]-4-[(3-phenyl-5-isoxazolyl)methyl]-4-piperidin-1-iumol IUPAC Name: 1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-4-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidin-1-ium-4-ol Traditional Name: 1-[(5-chloro-1,3-dimethyl-pyrazol-4-yl)methyl]-4-[(3-phenylisoxazol-5-yl)methyl]piperidin-1-ium-4-ol Formula: C21H26ClN4O2+ MolecularWeight: 401.90974

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C[NH+]2CCC(CC2)(CC3=CC(=NO3)C4=CC=CC=C4)O)Cl)C

Isomeric SMILES

CC1=NN(C(=C1C[NH+]2CCC(CC2)(CC3=CC(=NO3)C4=CC=CC=C4)O)Cl)C

InChI

InChI=1S/C21H25ClN4O2/c1-15-18(20(22)25(2)23-15)14-26-10-8-21(27,9-11-26)13-17-12-19(24-28-17)16-6-4-3-5-7-16/h3-7,12,27H,8-11,13-14H2,1-2H3/p+1