N-[(2R)-3-methyl-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)butyl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[(2R)-3-methyl-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)butyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[(2R)-3-methyl-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)butyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[(2R)-3-methyl-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)butyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[(2R)-3-methyl-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)butyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[(2R)-3-methyl-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)butyl]-piperonylamide Formula: C22H27N2O3+ MolecularWeight: 367.46138

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CNC(=O)C1=CC2=C(C=C1)OCO2)[NH+]3CCC4=CC=CC=C4C3

Isomeric SMILES

CC(C)[C@H](CNC(=O)C1=CC2=C(C=C1)OCO2)[NH+]3CCC4=CC=CC=C4C3

InChI

InChI=1S/C22H26N2O3/c1-15(2)19(24-10-9-16-5-3-4-6-18(16)13-24)12-23-22(25)17-7-8-20-21(11-17)27-14-26-20/h3-8,11,15,19H,9-10,12-14H2,1-2H3,(H,23,25)/p+1/t19-/m0/s1