(3S)-1-[(2-chloranyl-4,5-dimethoxy-phenyl)methyl]-3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-ium

Systemtic Name: (3S)-1-[(2-chloranyl-4,5-dimethoxy-phenyl)methyl]-3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-ium Openeye Name: (3S)-1-[(2-chloro-4,5-dimethoxy-phenyl)methyl]-3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-ium CAS Name: (3S)-1-[(2-chloro-4,5-dimethoxyphenyl)methyl]-3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-ium IUPAC Name: (3S)-1-[(2-chloro-4,5-dimethoxyphenyl)methyl]-3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-ium Traditional Name: (3S)-1-(2-chloro-4,5-dimethoxy-benzyl)-3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-ium Formula: C19H27ClN3O2+ MolecularWeight: 364.88958

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(NN=C1)C2CCC[NH+](C2)CC3=CC(=C(C=C3Cl)OC)OC

Isomeric SMILES

CCC1=C(NN=C1)[C@H]2CCC[NH+](C2)CC3=CC(=C(C=C3Cl)OC)OC

InChI

InChI=1S/C19H26ClN3O2/c1-4-13-10-21-22-19(13)14-6-5-7-23(11-14)12-15-8-17(24-2)18(25-3)9-16(15)20/h8-10,14H,4-7,11-12H2,1-3H3,(H,21,22)/p+1/t14-/m0/s1