6-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-3,4-dihydro-2H-1,4-benzoxazine

Systemtic Name: 6-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-3,4-dihydro-2H-1,4-benzoxazine Openeye Name: 6-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-3,4-dihydro-2H-1,4-benzoxazine CAS Name: 6-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-3,4-dihydro-2H-1,4-benzoxazine IUPAC Name: 6-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-3,4-dihydro-2H-1,4-benzoxazine Traditional Name: 6-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-3,4-dihydro-2H-1,4-benzoxazine Formula: C18H21N2O+ MolecularWeight: 281.37214

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC2=CC=CC=C21)CC3=CC4=C(C=C3)OCCN4

Isomeric SMILES

C1C[NH+](CC2=CC=CC=C21)CC3=CC4=C(C=C3)OCCN4

InChI

InChI=1S/C18H20N2O/c1-2-4-16-13-20(9-7-15(16)3-1)12-14-5-6-18-17(11-14)19-8-10-21-18/h1-6,11,19H,7-10,12-13H2/p+1