3-[1-(2,1,3-benzoxadiazol-5-ylmethyl)piperidin-1-ium-4-yl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one

Systemtic Name: 3-[1-(2,1,3-benzoxadiazol-5-ylmethyl)piperidin-1-ium-4-yl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one Openeye Name: 3-[1-(2,1,3-benzoxadiazol-5-ylmethyl)piperidin-1-ium-4-yl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one CAS Name: 3-[1-(2,1,3-benzoxadiazol-5-ylmethyl)-4-piperidin-1-iumyl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-propanone IUPAC Name: 3-[1-(2,1,3-benzoxadiazol-5-ylmethyl)piperidin-1-ium-4-yl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one Traditional Name: 3-[1-(benzofurazan-5-ylmethyl)piperidin-1-ium-4-yl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one Formula: C24H29N4O2+ MolecularWeight: 405.51266

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1CCC(=O)N2CCC3=CC=CC=C3C2)CC4=CC5=NON=C5C=C4

Isomeric SMILES

C1C[NH+](CCC1CCC(=O)N2CCC3=CC=CC=C3C2)CC4=CC5=NON=C5C=C4

InChI

InChI=1S/C24H28N4O2/c29-24(28-14-11-20-3-1-2-4-21(20)17-28)8-6-18-9-12-27(13-10-18)16-19-5-7-22-23(15-19)26-30-25-22/h1-5,7,15,18H,6,8-14,16-17H2/p+1