N-(1,3-benzodioxol-5-yl)-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propanamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propanamide Openeye Name: N-(1,3-benzodioxol-5-yl)-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propanamide CAS Name: N-(1,3-benzodioxol-5-yl)-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propanamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propanamide Traditional Name: N-(1,3-benzodioxol-5-yl)-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propionamide Formula: C19H21N2O3+ MolecularWeight: 325.38164

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC2=CC=CC=C21)CCC(=O)NC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1C[NH+](CC2=CC=CC=C21)CCC(=O)NC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C19H20N2O3/c22-19(20-16-5-6-17-18(11-16)24-13-23-17)8-10-21-9-7-14-3-1-2-4-15(14)12-21/h1-6,11H,7-10,12-13H2,(H,20,22)/p+1