2-(1,3-benzodioxol-5-yl)-N-[(3S)-1-cycloheptylpiperidin-1-ium-3-yl]ethanamide

Systemtic Name: 2-(1,3-benzodioxol-5-yl)-N-[(3S)-1-cycloheptylpiperidin-1-ium-3-yl]ethanamide Openeye Name: 2-(1,3-benzodioxol-5-yl)-N-[(3S)-1-cycloheptylpiperidin-1-ium-3-yl]acetamide CAS Name: 2-(1,3-benzodioxol-5-yl)-N-[(3S)-1-cycloheptyl-3-piperidin-1-iumyl]acetamide IUPAC Name: 2-(1,3-benzodioxol-5-yl)-N-[(3S)-1-cycloheptylpiperidin-1-ium-3-yl]acetamide Traditional Name: 2-(1,3-benzodioxol-5-yl)-N-[(3S)-1-cycloheptylpiperidin-1-ium-3-yl]acetamide Formula: C21H31N2O3+ MolecularWeight: 359.48244

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)[NH+]2CCCC(C2)NC(=O)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CCCC(CC1)[NH+]2CCC[C@@H](C2)NC(=O)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H30N2O3/c24-21(13-16-9-10-19-20(12-16)26-15-25-19)22-17-6-5-11-23(14-17)18-7-3-1-2-4-8-18/h9-10,12,17-18H,1-8,11,13-15H2,(H,22,24)/p+1/t17-/m0/s1