3-[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidin-1-ium-4-yl]-N-phenyl-propanamide

Systemtic Name: 3-[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidin-1-ium-4-yl]-N-phenyl-propanamide Openeye Name: 3-[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidin-1-ium-4-yl]-N-phenyl-propanamide CAS Name: 3-[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-piperidin-1-iumyl]-N-phenylpropanamide IUPAC Name: 3-[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidin-1-ium-4-yl]-N-phenylpropanamide Traditional Name: 3-[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidin-1-ium-4-yl]-N-phenyl-propionamide Formula: C23H29N2O3+ MolecularWeight: 381.48796

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1CCC(=O)NC2=CC=CC=C2)CC3=CC4=C(C=C3)OCCO4

Isomeric SMILES

C1C[NH+](CCC1CCC(=O)NC2=CC=CC=C2)CC3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C23H28N2O3/c26-23(24-20-4-2-1-3-5-20)9-7-18-10-12-25(13-11-18)17-19-6-8-21-22(16-19)28-15-14-27-21/h1-6,8,16,18H,7,9-15,17H2,(H,24,26)/p+1