2-(cyclohexen-1-yl)ethyl-(4-methoxycarbonyl-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl)azanium

Systemtic Name: 2-(cyclohexen-1-yl)ethyl-(4-methoxycarbonyl-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl)azanium Openeye Name: 2-(cyclohexen-1-yl)ethyl-(4-methoxycarbonyl-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl)ammonium CAS Name: 2-(1-cyclohexenyl)ethyl-(4-methoxycarbonyl-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl)ammonium IUPAC Name: 2-(cyclohexen-1-yl)ethyl-(4-methoxycarbonyl-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl)azanium Traditional Name: (4-carbomethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl)-[2-(cyclohexen-1-yl)ethyl]ammonium Formula: C19H28N2O2+2 MolecularWeight: 316.43782

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1C[NH2+]C(C2=CC=CC=C12)[NH2+]CCC3=CCCCC3

Isomeric SMILES

COC(=O)C1C[NH2+]C(C2=CC=CC=C12)[NH2+]CCC3=CCCCC3

InChI

InChI=1S/C19H26N2O2/c1-23-19(22)17-13-21-18(16-10-6-5-9-15(16)17)20-12-11-14-7-3-2-4-8-14/h5-7,9-10,17-18,20-21H,2-4,8,11-13H2,1H3/p+2