(1S)-6,7-diethoxy-1-(2-ethyl-5-methyl-1H-imidazol-3-ium-4-yl)-1,2,3,4-tetrahydroisoquinolin-2-ium

Systemtic Name: (1S)-6,7-diethoxy-1-(2-ethyl-5-methyl-1H-imidazol-3-ium-4-yl)-1,2,3,4-tetrahydroisoquinolin-2-ium Openeye Name: (1S)-6,7-diethoxy-1-(2-ethyl-5-methyl-1H-imidazol-3-ium-4-yl)-1,2,3,4-tetrahydroisoquinolin-2-ium CAS Name: (1S)-6,7-diethoxy-1-(2-ethyl-5-methyl-1H-imidazol-3-ium-4-yl)-1,2,3,4-tetrahydroisoquinolin-2-ium IUPAC Name: (1S)-6,7-diethoxy-1-(2-ethyl-5-methyl-1H-imidazol-3-ium-4-yl)-1,2,3,4-tetrahydroisoquinolin-2-ium Traditional Name: (1S)-6,7-diethoxy-1-(2-ethyl-5-methyl-1H-imidazol-3-ium-4-yl)-1,2,3,4-tetrahydroisoquinolin-2-ium Formula: C19H29N3O2+2 MolecularWeight: 331.45246

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=[NH+]C(=C(N1)C)C2C3=CC(=C(C=C3CC[NH2+]2)OCC)OCC

Isomeric SMILES

CCC1=[NH+]C(=C(N1)C)[C@@H]2C3=CC(=C(C=C3CC[NH2+]2)OCC)OCC

InChI

InChI=1S/C19H27N3O2/c1-5-17-21-12(4)18(22-17)19-14-11-16(24-7-3)15(23-6-2)10-13(14)8-9-20-19/h10-11,19-20H,5-9H2,1-4H3,(H,21,22)/p+2/t19-/m0/s1