N-(1,3-benzodioxol-5-yl)-1-[3-(3,5-dimethylphenoxy)propyl]piperidin-1-ium-4-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-1-[3-(3,5-dimethylphenoxy)propyl]piperidin-1-ium-4-carboxamide Openeye Name: N-(1,3-benzodioxol-5-yl)-1-[3-(3,5-dimethylphenoxy)propyl]piperidin-1-ium-4-carboxamide CAS Name: N-(1,3-benzodioxol-5-yl)-1-[3-(3,5-dimethylphenoxy)propyl]-4-piperidin-1-iumcarboxamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-1-[3-(3,5-dimethylphenoxy)propyl]piperidin-1-ium-4-carboxamide Traditional Name: N-(1,3-benzodioxol-5-yl)-1-[3-(3,5-dimethylphenoxy)propyl]piperidin-1-ium-4-carboxamide Formula: C24H31N2O4+ MolecularWeight: 411.51394

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OCCC[NH+]2CCC(CC2)C(=O)NC3=CC4=C(C=C3)OCO4)C

Isomeric SMILES

CC1=CC(=CC(=C1)OCCC[NH+]2CCC(CC2)C(=O)NC3=CC4=C(C=C3)OCO4)C

InChI

InChI=1S/C24H30N2O4/c1-17-12-18(2)14-21(13-17)28-11-3-8-26-9-6-19(7-10-26)24(27)25-20-4-5-22-23(15-20)30-16-29-22/h4-5,12-15,19H,3,6-11,16H2,1-2H3,(H,25,27)/p+1