3-[(3R)-1-[1-(3,5-dimethylphenyl)piperidin-4-yl]piperidin-1-ium-3-yl]-1-pyrrolidin-1-yl-propan-1-one

Systemtic Name: 3-[(3R)-1-[1-(3,5-dimethylphenyl)piperidin-4-yl]piperidin-1-ium-3-yl]-1-pyrrolidin-1-yl-propan-1-one Openeye Name: 3-[(3R)-1-[1-(3,5-dimethylphenyl)-4-piperidyl]piperidin-1-ium-3-yl]-1-pyrrolidin-1-yl-propan-1-one CAS Name: 3-[(3R)-1-[1-(3,5-dimethylphenyl)-4-piperidinyl]-3-piperidin-1-iumyl]-1-(1-pyrrolidinyl)-1-propanone IUPAC Name: 3-[(3R)-1-[1-(3,5-dimethylphenyl)piperidin-4-yl]piperidin-1-ium-3-yl]-1-pyrrolidin-1-ylpropan-1-one Traditional Name: 3-[(3R)-1-[1-(3,5-dimethylphenyl)-4-piperidyl]piperidin-1-ium-3-yl]-1-pyrrolidino-propan-1-one Formula: C25H40N3O+ MolecularWeight: 398.6046

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)N2CCC(CC2)[NH+]3CCCC(C3)CCC(=O)N4CCCC4)C

Isomeric SMILES

CC1=CC(=CC(=C1)N2CCC(CC2)[NH+]3CCC[C@@H](C3)CCC(=O)N4CCCC4)C

InChI

InChI=1S/C25H39N3O/c1-20-16-21(2)18-24(17-20)26-14-9-23(10-15-26)28-13-5-6-22(19-28)7-8-25(29)27-11-3-4-12-27/h16-18,22-23H,3-15,19H2,1-2H3/p+1/t22-/m1/s1