1-cyclododecyl-2-[(5S)-4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-6-ium-5-yl]ethanone

Systemtic Name: 1-cyclododecyl-2-[(5S)-4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-6-ium-5-yl]ethanone Openeye Name: 1-cyclododecyl-2-[(5S)-4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-6-ium-5-yl]ethanone CAS Name: 1-cyclododecyl-2-[(5S)-4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-6-ium-5-yl]ethanone IUPAC Name: 1-cyclododecyl-2-[(5S)-4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-6-ium-5-yl]ethanone Traditional Name: 1-cyclododecyl-2-[(5S)-4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxol[4,5-g]isoquinolin-6-ium-5-yl]ethanone Formula: C26H40NO4+ MolecularWeight: 430.6001

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC2=CC3=C(C(=C2C1CC(=O)C4CCCCCCCCCCC4)OC)OCO3

Isomeric SMILES

C[NH+]1CCC2=CC3=C(C(=C2[C@@H]1CC(=O)C4CCCCCCCCCCC4)OC)OCO3

InChI

InChI=1S/C26H39NO4/c1-27-15-14-20-16-23-25(31-18-30-23)26(29-2)24(20)21(27)17-22(28)19-12-10-8-6-4-3-5-7-9-11-13-19/h16,19,21H,3-15,17-18H2,1-2H3/p+1/t21-/m0/s1