2-[[(3S)-1-[(3-cyclopentyloxyphenyl)methyl]piperidin-1-ium-3-yl]-methyl-amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[[(3S)-1-[(3-cyclopentyloxyphenyl)methyl]piperidin-1-ium-3-yl]-methyl-amino]ethyl-dimethyl-azanium Openeye Name: 2-[[(3S)-1-[[3-(cyclopentoxy)phenyl]methyl]piperidin-1-ium-3-yl]-methyl-amino]ethyl-dimethyl-ammonium CAS Name: 2-[[(3S)-1-[(3-cyclopentyloxyphenyl)methyl]-3-piperidin-1-iumyl]-methylamino]ethyl-dimethylammonium IUPAC Name: 2-[[(3S)-1-[(3-cyclopentyloxyphenyl)methyl]piperidin-1-ium-3-yl]-methylamino]ethyl-dimethylazanium Traditional Name: 2-[[(3S)-1-[3-(cyclopentoxy)benzyl]piperidin-1-ium-3-yl]-methyl-amino]ethyl-dimethyl-ammonium Formula: C22H39N3O+2 MolecularWeight: 361.56456

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCN(C)C1CCC[NH+](C1)CC2=CC(=CC=C2)OC3CCCC3

Isomeric SMILES

C[NH+](C)CCN(C)[C@H]1CCC[NH+](C1)CC2=CC(=CC=C2)OC3CCCC3

InChI

InChI=1S/C22H37N3O/c1-23(2)14-15-24(3)20-9-7-13-25(18-20)17-19-8-6-12-22(16-19)26-21-10-4-5-11-21/h6,8,12,16,20-21H,4-5,7,9-11,13-15,17-18H2,1-3H3/p+2/t20-/m0/s1