(4-chloranyl-2-methyl-phenyl)-[(3S)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-1-ium-3-yl]methanone

Systemtic Name: (4-chloranyl-2-methyl-phenyl)-[(3S)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-1-ium-3-yl]methanone Openeye Name: (4-chloro-2-methyl-phenyl)-[(3S)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-1-ium-3-yl]methanone CAS Name: (4-chloro-2-methylphenyl)-[(3S)-1-[(1-methyl-4-pyrazolyl)methyl]-3-piperidin-1-iumyl]methanone IUPAC Name: (4-chloro-2-methylphenyl)-[(3S)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-1-ium-3-yl]methanone Traditional Name: (4-chloro-2-methyl-phenyl)-[(3S)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-1-ium-3-yl]methanone Formula: C18H23ClN3O+ MolecularWeight: 332.84772

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Cl)C(=O)C2CCC[NH+](C2)CC3=CN(N=C3)C

Isomeric SMILES

CC1=C(C=CC(=C1)Cl)C(=O)[C@H]2CCC[NH+](C2)CC3=CN(N=C3)C

InChI

InChI=1S/C18H22ClN3O/c1-13-8-16(19)5-6-17(13)18(23)15-4-3-7-22(12-15)11-14-9-20-21(2)10-14/h5-6,8-10,15H,3-4,7,11-12H2,1-2H3/p+1/t15-/m0/s1