1-[4-[(3S)-3-(4-methoxy-3,5-dimethyl-phenyl)carbonylpiperidin-1-ium-1-yl]piperidin-1-yl]ethanone

Systemtic Name: 1-[4-[(3S)-3-(4-methoxy-3,5-dimethyl-phenyl)carbonylpiperidin-1-ium-1-yl]piperidin-1-yl]ethanone Openeye Name: 1-[4-[(3S)-3-(4-methoxy-3,5-dimethyl-benzoyl)piperidin-1-ium-1-yl]-1-piperidyl]ethanone CAS Name: 1-[4-[(3S)-3-[(4-methoxy-3,5-dimethylphenyl)-oxomethyl]-1-piperidin-1-iumyl]-1-piperidinyl]ethanone IUPAC Name: 1-[4-[(3S)-3-(4-methoxy-3,5-dimethylbenzoyl)piperidin-1-ium-1-yl]piperidin-1-yl]ethanone Traditional Name: 1-[4-[(3S)-3-(4-methoxy-3,5-dimethyl-benzoyl)piperidin-1-ium-1-yl]piperidino]ethanone Formula: C22H33N2O3+ MolecularWeight: 373.50902

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OC)C)C(=O)C2CCC[NH+](C2)C3CCN(CC3)C(=O)C

Isomeric SMILES

CC1=CC(=CC(=C1OC)C)C(=O)[C@H]2CCC[NH+](C2)C3CCN(CC3)C(=O)C

InChI

InChI=1S/C22H32N2O3/c1-15-12-19(13-16(2)22(15)27-4)21(26)18-6-5-9-24(14-18)20-7-10-23(11-8-20)17(3)25/h12-13,18,20H,5-11,14H2,1-4H3/p+1/t18-/m0/s1