[(3S)-1-(1H-imidazol-2-ylmethyl)piperidin-1-ium-3-yl]-(4-methoxy-3,5-dimethyl-phenyl)methanone

Systemtic Name: [(3S)-1-(1H-imidazol-2-ylmethyl)piperidin-1-ium-3-yl]-(4-methoxy-3,5-dimethyl-phenyl)methanone Openeye Name: [(3S)-1-(1H-imidazol-2-ylmethyl)piperidin-1-ium-3-yl]-(4-methoxy-3,5-dimethyl-phenyl)methanone CAS Name: [(3S)-1-(1H-imidazol-2-ylmethyl)-3-piperidin-1-iumyl]-(4-methoxy-3,5-dimethylphenyl)methanone IUPAC Name: [(3S)-1-(1H-imidazol-2-ylmethyl)piperidin-1-ium-3-yl]-(4-methoxy-3,5-dimethylphenyl)methanone Traditional Name: [(3S)-1-(1H-imidazol-2-ylmethyl)piperidin-1-ium-3-yl]-(4-methoxy-3,5-dimethyl-phenyl)methanone Formula: C19H26N3O2+ MolecularWeight: 328.42864

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OC)C)C(=O)C2CCC[NH+](C2)CC3=NC=CN3

Isomeric SMILES

CC1=CC(=CC(=C1OC)C)C(=O)[C@H]2CCC[NH+](C2)CC3=NC=CN3

InChI

InChI=1S/C19H25N3O2/c1-13-9-16(10-14(2)19(13)24-3)18(23)15-5-4-8-22(11-15)12-17-20-6-7-21-17/h6-7,9-10,15H,4-5,8,11-12H2,1-3H3,(H,20,21)/p+1/t15-/m0/s1