1,3,3-trimethyl-2-[(3E)-4-phenylbuta-1,3-dienyl]indol-1-ium iodide

Systemtic Name: 1,3,3-trimethyl-2-[(3E)-4-phenylbuta-1,3-dienyl]indol-1-ium iodide Openeye Name: 1,3,3-trimethyl-2-[(3E)-4-phenylbuta-1,3-dienyl]indol-1-ium iodide CAS Name: 1,3,3-trimethyl-2-[(3E)-4-phenylbuta-1,3-dienyl]indol-1-ium iodide IUPAC Name: 1,3,3-trimethyl-2-[(3E)-4-phenylbuta-1,3-dienyl]indol-1-ium iodide Traditional Name: 1,3,3-trimethyl-2-[(3E)-4-phenylbuta-1,3-dienyl]indol-1-ium iodide Formula: C21H22IN MolecularWeight: 415.31055

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=CC=CC=C2[N+](=C1C=CC=CC3=CC=CC=C3)C)C.[I-]

Isomeric SMILES

CC1(C2=CC=CC=C2[N+](=C1C=C/C=C/C3=CC=CC=C3)C)C.[I-]

InChI

InChI=1S/C21H22N.HI/c1-21(2)18-14-8-9-15-19(18)22(3)20(21)16-10-7-13-17-11-5-4-6-12-17;/h4-16H,1-3H3;1H/q+1;/p-1/b13-7+,16-10?;