(3S)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(isoquinolin-5-ylmethyl)piperidin-1-ium-3-amine

Systemtic Name: (3S)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(isoquinolin-5-ylmethyl)piperidin-1-ium-3-amine Openeye Name: (3S)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(5-isoquinolylmethyl)piperidin-1-ium-3-amine CAS Name: (3S)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(5-isoquinolinylmethyl)-3-piperidin-1-iumamine IUPAC Name: (3S)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(isoquinolin-5-ylmethyl)piperidin-1-ium-3-amine Traditional Name: 2,3-dihydro-1,4-benzodioxin-6-yl-[(3S)-1-(5-isoquinolylmethyl)piperidin-1-ium-3-yl]amine Formula: C23H26N3O2+ MolecularWeight: 376.47144

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=CC=CC3=C2C=CN=C3)NC4=CC5=C(C=C4)OCCO5

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=CC=CC3=C2C=CN=C3)NC4=CC5=C(C=C4)OCCO5

InChI

InChI=1S/C23H25N3O2/c1-3-17-14-24-9-8-21(17)18(4-1)15-26-10-2-5-20(16-26)25-19-6-7-22-23(13-19)28-12-11-27-22/h1,3-4,6-9,13-14,20,25H,2,5,10-12,15-16H2/p+1/t20-/m0/s1