(2R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-isoquinolin-2-ium-2-yl-propanamide

Systemtic Name: (2R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-isoquinolin-2-ium-2-yl-propanamide Openeye Name: (2R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-isoquinolin-2-ium-2-yl-propanamide CAS Name: (2R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-isoquinolin-2-iumyl)propanamide IUPAC Name: (2R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-isoquinolin-2-ium-2-ylpropanamide Traditional Name: (2R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-isoquinolin-2-ium-2-yl-propionamide Formula: C20H19N2O3+ MolecularWeight: 335.37646

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC2=C(C=C1)OCCO2)[N+]3=CC4=CC=CC=C4C=C3

Isomeric SMILES

C[C@H](C(=O)NC1=CC2=C(C=C1)OCCO2)[N+]3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C20H18N2O3/c1-14(22-9-8-15-4-2-3-5-16(15)13-22)20(23)21-17-6-7-18-19(12-17)25-11-10-24-18/h2-9,12-14H,10-11H2,1H3/p+1/t14-/m1/s1