4-[(E)-2-(3,8-dimethyl-5-propan-2-yl-azulen-1-yl)ethenyl]-1-ethyl-quinolin-1-ium iodide

Systemtic Name: 4-[(E)-2-(3,8-dimethyl-5-propan-2-yl-azulen-1-yl)ethenyl]-1-ethyl-quinolin-1-ium iodide Openeye Name: 1-ethyl-4-[(E)-2-(5-isopropyl-3,8-dimethyl-azulen-1-yl)vinyl]quinolin-1-ium iodide CAS Name: 4-[(E)-2-(3,8-dimethyl-5-propan-2-yl-1-azulenyl)ethenyl]-1-ethylquinolin-1-ium iodide IUPAC Name: 4-[(E)-2-(3,8-dimethyl-5-propan-2-ylazulen-1-yl)ethenyl]-1-ethylquinolin-1-ium iodide Traditional Name: 1-ethyl-4-[(E)-2-(5-isopropyl-3,8-dimethyl-azulen-1-yl)vinyl]quinolin-1-ium iodide Formula: C28H30IN MolecularWeight: 507.44897

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=CC=C(C2=CC=CC=C21)C=CC3=CC(=C4C3=C(C=CC(=C4)C(C)C)C)C.[I-]

Isomeric SMILES

CC[N+]1=CC=C(C2=CC=CC=C21)/C=C/C3=CC(=C4C3=C(C=CC(=C4)C(C)C)C)C.[I-]

InChI

InChI=1S/C28H30N.HI/c1-6-29-16-15-22(25-9-7-8-10-27(25)29)13-14-24-17-21(5)26-18-23(19(2)3)12-11-20(4)28(24)26;/h7-19H,6H2,1-5H3;1H/q+1;/p-1/b14-13+;