[4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2-oxidanyl-5,6,8,8a-tetrahydrochromen-7-ylidene]-ethoxycarbonyl-azanium

Systemtic Name: [4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2-oxidanyl-5,6,8,8a-tetrahydrochromen-7-ylidene]-ethoxycarbonyl-azanium Openeye Name: [4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2-hydroxy-5,6,8,8a-tetrahydrochromen-7-ylidene]-ethoxycarbonyl-ammonium CAS Name: [4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2-hydroxy-5,6,8,8a-tetrahydro-1-benzopyran-7-ylidene]-ethoxycarbonylammonium IUPAC Name: [4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2-hydroxy-5,6,8,8a-tetrahydrochromen-7-ylidene]-ethoxycarbonylazanium Traditional Name: carbethoxy-[4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2-hydroxy-5,6,8,8a-tetrahydrochromen-7-ylidene]ammonium Formula: C22H27N2O4+ MolecularWeight: 383.46078

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)[NH+]=C1CCC2=C(C=C(OC2C1)O)CN3CCC4=CC=CC=C4C3

Isomeric SMILES

CCOC(=O)[NH+]=C1CCC2=C(C=C(OC2C1)O)CN3CCC4=CC=CC=C4C3

InChI

InChI=1S/C22H26N2O4/c1-2-27-22(26)23-18-7-8-19-17(11-21(25)28-20(19)12-18)14-24-10-9-15-5-3-4-6-16(15)13-24/h3-6,11,20,25H,2,7-10,12-14H2,1H3/p+1