2-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium

Systemtic Name: 2-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium Openeye Name: 2-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium CAS Name: 2-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium IUPAC Name: 2-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium Traditional Name: 2-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium Formula: C18H20NO3+ MolecularWeight: 298.3563

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC2=C1OCO2)C[NH+]3CCC4=CC=CC=C4C3

Isomeric SMILES

COC1=CC(=CC2=C1OCO2)C[NH+]3CCC4=CC=CC=C4C3

InChI

InChI=1S/C18H19NO3/c1-20-16-8-13(9-17-18(16)22-12-21-17)10-19-7-6-14-4-2-3-5-15(14)11-19/h2-5,8-9H,6-7,10-12H2,1H3/p+1