2,2-bis[(2E)-3,7-dimethylocta-2,6-dienyl]-1-methyl-3,4-dihydro-1H-isoquinolin-2-ium-6,7-diol

Systemtic Name: 2,2-bis[(2E)-3,7-dimethylocta-2,6-dienyl]-1-methyl-3,4-dihydro-1H-isoquinolin-2-ium-6,7-diol Openeye Name: 2,2-bis[(2E)-3,7-dimethylocta-2,6-dienyl]-1-methyl-3,4-dihydro-1H-isoquinolin-2-ium-6,7-diol CAS Name: 2,2-bis[(2E)-3,7-dimethylocta-2,6-dienyl]-1-methyl-3,4-dihydro-1H-isoquinolin-2-ium-6,7-diol IUPAC Name: 2,2-bis[(2E)-3,7-dimethylocta-2,6-dienyl]-1-methyl-3,4-dihydro-1H-isoquinolin-2-ium-6,7-diol Traditional Name: 2,2-bis[(2E)-3,7-dimethylocta-2,6-dienyl]-1-methyl-3,4-dihydro-1H-isoquinolin-2-ium-6,7-diol Formula: C30H46NO2+ MolecularWeight: 452.69174

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2=CC(=C(C=C2CC[N+]1(CC=C(C)CCC=C(C)C)CC=C(C)CCC=C(C)C)O)O

Isomeric SMILES

CC1[N+](CCC2=CC(=C(C=C12)O)O)(C/C=C(/CCC=C(C)C)\C)C/C=C(/CCC=C(C)C)\C

InChI

InChI=1S/C30H45NO2/c1-22(2)10-8-12-24(5)14-17-31(18-15-25(6)13-9-11-23(3)4)19-16-27-20-29(32)30(33)21-28(27)26(31)7/h10-11,14-15,20-21,26H,8-9,12-13,16-19H2,1-7H3,(H-,32,33)/p+1/b24-14+,25-15+