(2R)-N-(1,3-benzodioxol-5-ylmethyl)-2-isoquinolin-2-ium-2-yl-propanamide

Systemtic Name: (2R)-N-(1,3-benzodioxol-5-ylmethyl)-2-isoquinolin-2-ium-2-yl-propanamide Openeye Name: (2R)-N-(1,3-benzodioxol-5-ylmethyl)-2-isoquinolin-2-ium-2-yl-propanamide CAS Name: (2R)-N-(1,3-benzodioxol-5-ylmethyl)-2-(2-isoquinolin-2-iumyl)propanamide IUPAC Name: (2R)-N-(1,3-benzodioxol-5-ylmethyl)-2-isoquinolin-2-ium-2-ylpropanamide Traditional Name: (2R)-2-isoquinolin-2-ium-2-yl-N-piperonyl-propionamide Formula: C20H19N2O3+ MolecularWeight: 335.37646

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC2=C(C=C1)OCO2)[N+]3=CC4=CC=CC=C4C=C3

Isomeric SMILES

C[C@H](C(=O)NCC1=CC2=C(C=C1)OCO2)[N+]3=CC4=CC=CC=C4C=C3

InChI

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