N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[1-(isoquinolin-5-ylmethyl)piperidin-1-ium-4-yl]propanamide

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[1-(isoquinolin-5-ylmethyl)piperidin-1-ium-4-yl]propanamide Openeye Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[1-(5-isoquinolylmethyl)piperidin-1-ium-4-yl]propanamide CAS Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[1-(5-isoquinolinylmethyl)-4-piperidin-1-iumyl]propanamide IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[1-(isoquinolin-5-ylmethyl)piperidin-1-ium-4-yl]propanamide Traditional Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[1-(5-isoquinolylmethyl)piperidin-1-ium-4-yl]propionamide Formula: C26H30N3O3+ MolecularWeight: 432.5347

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1CCC(=O)NC2=CC3=C(C=C2)OCCO3)CC4=CC=CC5=C4C=CN=C5

Isomeric SMILES

C1C[NH+](CCC1CCC(=O)NC2=CC3=C(C=C2)OCCO3)CC4=CC=CC5=C4C=CN=C5

InChI

InChI=1S/C26H29N3O3/c30-26(28-22-5-6-24-25(16-22)32-15-14-31-24)7-4-19-9-12-29(13-10-19)18-21-3-1-2-20-17-27-11-8-23(20)21/h1-3,5-6,8,11,16-17,19H,4,7,9-10,12-15,18H2,(H,28,30)/p+1